| SpectraBase Compound ID | wrntP7vrj4 |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18?,19?,20?,21+,22-,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | VCEIEQKXIVAQBX-CCYMHAQSSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dv9jsC7wfCe |
|---|---|
| Name | 5-BETA-SPIROST-25(27)-ENE-2-BETA,3-BETA-DIOL;SCHIDIGERAGENIN-C |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18?,19?,20?,21+,22-,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | VCEIEQKXIVAQBX-CCYMHAQSSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM |
| Literature Reference Citation | J.NAT.PROD.,63,332(2000) |
| Literature Reference DOI | 10.1021/np9904354 |
| Molecular Weight | 430.628 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7314 |