| SpectraBase Compound ID | 49VB8EH1X3b |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h10,14-15,17-24,28-30H,5-9,11-13H2,1-4H3/t14-,15+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | LSRHTWSFMJOGMD-WDTGQWDBSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7bNCCpj9Tv |
|---|---|
| Name | 25-(R)-SPIROST-5-EN-3-BETA,7-BETA,12-BETA-TRIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h10,14-15,17-24,28-30H,5-9,11-13H2,1-4H3/t14-,15+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | LSRHTWSFMJOGMD-WDTGQWDBSA-N |
| Literature Reference Author | G.W.WU,J.M.GAO,X.W.SHI,Q.ZHANG,S.P.WEI,K.DING |
| Literature Reference Citation | J.NAT.PROD.,74,2095(2011) |
| Literature Reference DOI | 10.1021/np2003484 |
| Molecular Weight | 446.627 g/mol |
| Sample ID | 39341 |
| Solvent | CD3OD |