| SpectraBase Compound ID | CCbyf7p9znF |
|---|---|
| InChI | InChI=1S/C31H46O6/c1-18(2)9-8-13-30(6,35)28-26(36-19(3)32)16-25-23-11-10-21-15-22(34)12-14-29(21,5)24(23)17-27(31(25,28)7)37-20(4)33/h12,14-15,18,23-28,35H,8-11,13,16-17H2,1-7H3/t23?,24?,25?,26-,27+,28?,29-,30?,31+/m0/s1 |
| InChIKey | SDZLLHVVNDYMTJ-VCVOKNJJSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C31H46O6 |
| Exact Mass | 514.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MGwj4eCSsQ |
|---|---|
| Name | NANJIOL-A;(20S)-12-BETA,16-BETA,20-TRIHYDROXYCHOLESTA-1,4-DIENE-3-ONE-12,16-DIACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O6 |
| InChI | InChI=1S/C31H46O6/c1-18(2)9-8-13-30(6,35)28-26(36-19(3)32)16-25-23-11-10-21-15-22(34)12-14-29(21,5)24(23)17-27(31(25,28)7)37-20(4)33/h12,14-15,18,23-28,35H,8-11,13,16-17H2,1-7H3/t23?,24?,25?,26-,27+,28?,29-,30?,31+/m0/s1 |
| InChIKey | SDZLLHVVNDYMTJ-VCVOKNJJSA-N |
| Literature Reference Author | Z.Y.SHAO,D.Y.ZHU,Y.W.GUO |
| Literature Reference Citation | J.NAT.PROD.,65,1675(2002) |
| Literature Reference DOI | 10.1021/np020087x |
| Molecular Weight | 514.703 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7264 |