| SpectraBase Compound ID | 5i11PJGQHWA |
|---|---|
| InChI | InChI=1S/C31H48O7S/c1-19(2)16-21(32)17-20(3)22-10-12-28(5)23-8-9-24-29(6,26(33)37-7)25(38-39(34,35)36)11-13-30(24)18-31(23,30)15-14-27(22,28)4/h16,20,22-25H,8-15,17-18H2,1-7H3,(H,34,35,36)/t20-,22-,23+,24?,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | YHKZVCVVLXIHNA-LWLPXEGASA-N |
| Mol Weight | 564.8 g/mol |
| Molecular Formula | C31H48O7S |
| Exact Mass | 564.312075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2DHfbnUYdJ |
|---|---|
| Name | METHYL-3-BETA-HYDROXY-23-OXOCYCLOART-24-EN-28-OATE-3-SULFATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O7S |
| InChI | InChI=1S/C31H48O7S/c1-19(2)16-21(32)17-20(3)22-10-12-28(5)23-8-9-24-29(6,26(33)37-7)25(38-39(34,35)36)11-13-30(24)18-31(23,30)15-14-27(22,28)4/h16,20,22-25H,8-15,17-18H2,1-7H3,(H,34,35,36)/t20-,22-,23+,24?,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | YHKZVCVVLXIHNA-LWLPXEGASA-N |
| Literature Reference Author | F.D.HORGEN,B.SAKAMOTO,P.J.SCHEUER |
| Literature Reference Citation | J.NAT.PROD.,63,210(2000) |
| Literature Reference DOI | 10.1021/np990448h |
| Molecular Weight | 564.778 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGE6169 |