| SpectraBase Compound ID | 13xGRE85NmH |
|---|---|
| InChI | InChI=1S/C30H48O7S/c1-18(2)15-20(31)16-19(3)21-9-11-28(5)24-8-7-22-25(26(32)36-6)23(37-38(33,34)35)10-12-29(22)17-30(24,29)14-13-27(21,28)4/h15,19-25,31H,7-14,16-17H2,1-6H3,(H,33,34,35)/t19-,20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChIKey | ZACGVMMBQFJTOT-HVROPJHQSA-N |
| Mol Weight | 552.8 g/mol |
| Molecular Formula | C30H48O7S |
| Exact Mass | 552.312075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39aXotPyPuG |
|---|---|
| Name | METHYL-3-BETA,23(R)-DIHYDROXY-29-NOR-CYCLOART-24-EN-28-OATE-3-SULFATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O7S |
| InChI | InChI=1S/C30H48O7S/c1-18(2)15-20(31)16-19(3)21-9-11-28(5)24-8-7-22-25(26(32)36-6)23(37-38(33,34)35)10-12-29(22)17-30(24,29)14-13-27(21,28)4/h15,19-25,31H,7-14,16-17H2,1-6H3,(H,33,34,35)/t19-,20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1 |
| InChIKey | ZACGVMMBQFJTOT-HVROPJHQSA-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 | 552.767 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGE6174 |