| SpectraBase Compound ID | 8kZUAx0ZS7p |
|---|---|
| InChI | InChI=1S/C34H56O7/c1-19(2)20(3)8-9-21(4)26-12-13-27(34(26,7)16-17-35)25-11-10-23-18-24(14-15-33(23,6)31(25)39)41-32-30(38)29(37)28(36)22(5)40-32/h10,19,21-22,24-30,32,35-38H,3,8-9,11-18H2,1-2,4-7H3/t21-,22-,24+,25+,26-,27+,28-,29-,30+,32+,33+,34-/m1/s1 |
| InChIKey | AHSOQHJVDGIQDG-YHXMLPECSA-N |
| Mol Weight | 576.8 g/mol |
| Molecular Formula | C34H56O7 |
| Exact Mass | 576.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OXGDb6CfDN |
|---|---|
| Name | SINULAROSIDE_A;3-BETA-O-(ALPHA-L-FUCOPYRANOSYL)-11-HYDROXY-24-METHYLENE-9,11-SECOCHOLEST-5-EN-9-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H56O7 |
| InChI | InChI=1S/C34H56O7/c1-19(2)20(3)8-9-21(4)26-12-13-27(34(26,7)16-17-35)25-11-10-23-18-24(14-15-33(23,6)31(25)39)41-32-30(38)29(37)28(36)22(5)40-32/h10,19,21-22,24-30,32,35-38H,3,8-9,11-18H2,1-2,4-7H3/t21-,22-,24+,25+,26-,27+,28-,29-,30+,32+,33+,34-/m1/s1 |
| InChIKey | AHSOQHJVDGIQDG-YHXMLPECSA-N |
| Literature Reference Author | P.SUN,L.Y.MENG,H.TANG,B.S.LIU,L.LI,Y.YI,W.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,75,1656(2012) |
| Literature Reference DOI | 10.1021/np300475d |
| Molecular Weight | 576.814 g/mol |
| Sample ID | 41479 |
| Solvent | C5D5N |