| SpectraBase Compound ID | AdPFmwOX1Up |
|---|---|
| InChI | InChI=1S/C30H48O6/c1-17(2)18(3)14-27(36-20(5)32)19(4)23-8-9-24(29(23,6)12-13-31)22-16-26(34)25-15-21(33)10-11-30(25,7)28(22)35/h16-17,19,21,23-27,31,33-34H,3,8-15H2,1-2,4-7H3/t19-,21-,23+,24-,25+,26-,27+,29+,30-/m0/s1 |
| InChIKey | XVOGWHNQXFZIKW-GNVIEPOSSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgAPwvgldxg |
|---|---|
| Name | 22-ALPHA-ACETOXY-24-METHYLENE-3-BETA,6-ALPHA,11-TRIHYDROXY-9,11-SECO-CHOLEST-7-EN-9-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-17(2)18(3)14-27(36-20(5)32)19(4)23-8-9-24(29(23,6)12-13-31)22-16-26(34)25-15-21(33)10-11-30(25,7)28(22)35/h16-17,19,21,23-27,31,33-34H,3,8-15H2,1-2,4-7H3/t19-,21-,23+,24-,25+,26-,27+,29+,30-/m0/s1 |
| InChIKey | XVOGWHNQXFZIKW-GNVIEPOSSA-N |
| Literature Reference Author | Y.J.TSENG,S.K.WANG,C.Y.DUH |
| Literature Reference Citation | MAR.DRUGS,11,3288(2013) |
| Literature Reference DOI | 10.3390/md11093288 |
| Molecular Weight | 504.708 g/mol |
| Source File Reference | UWBT6415 |