1 Supporting Information Rec. Nat. Prod. 14:1 (2020) 57-64 Two Novel Sesquiterpenes and A New Pregnane Derivative from the South China Sea Gorgonian Subergorgia suberosa Xian-Qiang Chen 1, 2 , Nannan Xing 3 , Bin Yang 2 , Xuefeng Zhou 2 , Chenghai Gao 1 and Yonghong Liu 1, 2 1 Institute of Marine Drugs, Guangxi University of Chinese Medicine, Nanning, Guangxi 530200, P. R. China 2 Key Laboratory of Marine Bio-resources Sustainable Utilization; Guangdong Key Laboratory of Marine Materia Medica; Research Center for Marine Microbes, South China Sea Institute of Oceanology, Chinese Academy of Sciences, Guangzhou, Guangdong 510301, P. R. China 3 Guangxi Key Laboratory of Chinese Medicine Foundation Research, Guangxi Scientific Experimental Center of Traditional Chinese Medicine, Guangxi University of Chinese Medicine, Nanning, Guangxi 530200, P. R. China Table of Contents Page Figure S1: HR-ESI-MS Spectrum of 1 (isosuberosenol A) 3 Figure S2: 1 H-NMR (500 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 4 Figure S3: 13 C-NMR (125 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 5 Figure S4: DEPT135 (125 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 6 Figure S5: HSQC Spectrum of 1 (isosuberosenol A) 7 Figure S6: HSQC Spectrum of 1 (isosuberosenol A) (From δC15 ppm to δC 35 ppm) 8 Figure S7: HMBC Spectrum of 1 (isosuberosenol A) 9 Figure S8: HMBC Spectrum of 1 (isosuberosenol A) (From δC 79 ppm to δC 85 ppm ) 10 Figure S9: HMBC Spectrum of 1 (isosuberosenol A) (From δC 38 ppm to δC 53 ppm ) 11 Figure S10: HMBC Spectrum of 1 (isosuberosenol A) (From δC 15 ppm to δC 36 ppm ) 12 Figure S11: 1 H- 1 H COSY Spectrum of 1 (isosuberosenol A) 13 Figure S12: NOESY Spectrum of 1 (isosuberosenol A) 14 Figure S13: HR-ESI-MS Spectrum of 2 (suberosain A) 15 Figure S14: 1 H-NMR (500 MHz, CDCl3) Spectrum of 2 (suberosain A) 16 Figure S15: 13 C-NMR (125 MHz, CDCl3) Spectrum of 2 (suberosain A) 17 Figure S16: DEPT135 (125 MHz, CDCl3) Spectrum of 2 (suberosain A) 18 Figure S17: HSQC Spectrum of 2 (suberosain A) 19 Figure S18: HSQC Spectrum of 2 (suberosain A) (From δC 14 ppm to 50 ppm) 20 Figure S19: HMBC Spectrum of 2 (suberosain A) 21 Figure S20: HMBC Spectrum of 2 (suberosain A) (From δC 52 ppm to 75 ppm) 22 Figure S21: HMBC Spectrum of 2 (suberosain A) (From δC 15 ppm to 50 ppm) 23 Figure S22: 1 H- 1 H COSY Spectrum of 2 (suberosain A) 24 Figure S23: NOESY Spectrum of 2 (suberosain A) 25 Figure S24: HR-ESI-MS Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3, 20-dione) 26 Figure S25: 1 H-NMR (500 MHz, CDCl3) Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3, 20-dione) 27
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1
Supporting Information
Rec. Nat. Prod. 14:1 (2020) 57-64
Two Novel Sesquiterpenes and A New Pregnane Derivative from
the South China Sea Gorgonian Subergorgia suberosa
Xian-Qiang Chen 1, 2, Nannan Xing3, Bin Yang 2, Xuefeng Zhou 2, Chenghai
Gao 1 and Yonghong Liu 1, 2
1 Institute of Marine Drugs, Guangxi University of Chinese Medicine, Nanning, Guangxi 530200,
P. R. China 2 Key Laboratory of Marine Bio-resources Sustainable Utilization; Guangdong Key Laboratory
of Marine Materia Medica; Research Center for Marine Microbes, South China Sea Institute of
Oceanology, Chinese Academy of Sciences, Guangzhou, Guangdong 510301, P. R. China 3 Guangxi Key Laboratory of Chinese Medicine Foundation Research, Guangxi Scientific
Experimental Center of Traditional Chinese Medicine, Guangxi University of Chinese Medicine,
Nanning, Guangxi 530200, P. R. China
Table of Contents Page
Figure S1: HR-ESI-MS Spectrum of 1 (isosuberosenol A) 3
Figure S2: 1H-NMR (500 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 4
Figure S3: 13C-NMR (125 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 5
Figure S4: DEPT135 (125 MHz, CDCl3) Spectrum of 1 (isosuberosenol A) 6
Figure S5: HSQC Spectrum of 1 (isosuberosenol A) 7
Figure S6: HSQC Spectrum of 1 (isosuberosenol A) (From δC15 ppm to δC 35 ppm) 8
Figure S7: HMBC Spectrum of 1 (isosuberosenol A) 9
Figure S8: HMBC Spectrum of 1 (isosuberosenol A) (From δC 79 ppm to δC 85 ppm ) 10
Figure S9: HMBC Spectrum of 1 (isosuberosenol A) (From δC 38 ppm to δC 53 ppm ) 11
Figure S10: HMBC Spectrum of 1 (isosuberosenol A) (From δC 15 ppm to δC 36 ppm ) 12
Figure S11: 1H-1H COSY Spectrum of 1 (isosuberosenol A) 13
Figure S12: NOESY Spectrum of 1 (isosuberosenol A) 14
Figure S13: HR-ESI-MS Spectrum of 2 (suberosain A) 15
Figure S14: 1H-NMR (500 MHz, CDCl3) Spectrum of 2 (suberosain A) 16
Figure S15: 13C-NMR (125 MHz, CDCl3) Spectrum of 2 (suberosain A) 17
Figure S16: DEPT135 (125 MHz, CDCl3) Spectrum of 2 (suberosain A) 18
Figure S17: HSQC Spectrum of 2 (suberosain A) 19
Figure S18: HSQC Spectrum of 2 (suberosain A) (From δC 14 ppm to 50 ppm) 20
Figure S19: HMBC Spectrum of 2 (suberosain A) 21
Figure S20: HMBC Spectrum of 2 (suberosain A) (From δC 52 ppm to 75 ppm) 22
Figure S21: HMBC Spectrum of 2 (suberosain A) (From δC 15 ppm to 50 ppm) 23
Figure S22: 1H-1H COSY Spectrum of 2 (suberosain A) 24
Figure S23: NOESY Spectrum of 2 (suberosain A) 25
Figure S24: HR-ESI-MS Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3, 20-dione) 26
Figure S25: 1H-NMR (500 MHz, CDCl3) Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3,
20-dione)
27
2
Figure S26: 13C-NMR (125 MHz, CDCl3) Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3,
20-dione)
28
Figure S27: DEPT135 (125 MHz, CDCl3) Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3,
20-dione)
29
Figure S28: HSQC Spectrum of 3 (4-hydroxymethyl-5β-pregnan-3, 20-dione) 30