| SpectraBase Compound ID | IjXfRV0Rl8o |
|---|---|
| InChI | InChI=1S/C32H46O5S/c1-30-16-13-22(33)19-21(30)9-10-23-24-11-12-28(31(24,2)17-14-25(23)30)32(35,20-36-3)18-15-29(34)38-27-8-6-5-7-26(27)37-4/h5-8,15,18,21-25,28,33,35H,9-14,16-17,19-20H2,1-4H3/b18-15+/t21-,22+,23+,24+,25+,28+,30+,31+,32?/m1/s1 |
| InChIKey | DYGGUANLQWOCAW-UTJCNWMZSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C32H46O5S |
| Exact Mass | 542.306596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ygaBEY58id |
|---|---|
| Name | S-(2-METHOXYPHENYL)-(3-BETA,20S,22E)-3,20-DIHYDROXY-21-METHOXY-5-BETA-CHOL-22-ENE-24-THIOATE |
| CAS Registry Number | 83897-12-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O5S |
| InChI | InChI=1S/C32H46O5S/c1-30-16-13-22(33)19-21(30)9-10-23-24-11-12-28(31(24,2)17-14-25(23)30)32(35,20-36-3)18-15-29(34)38-27-8-6-5-7-26(27)37-4/h5-8,15,18,21-25,28,33,35H,9-14,16-17,19-20H2,1-4H3/b18-15+/t21-,22+,23+,24+,25+,28+,30+,31+,32?/m1/s1 |
| InChIKey | DYGGUANLQWOCAW-UTJCNWMZSA-N |
| Literature Reference Author | P.E.BAUER,K.S.KYLER,D.S.WATT |
| Literature Reference Citation | J.ORG.CHEM.,48,34(1983) |
| Literature Reference DOI | 10.1021/jo00149a007 |
| Molecular Weight | 542.774 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW11641 |