| SpectraBase Spectrum ID |
B0ctqzfSium |
| Name |
Methyl 1-.beta., 2-.beta.-epoxy-3-oxo-5-.beta.-cholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-14(5-10-21(27)28-4)17-8-9-18-16-7-6-15-13-20(26)22-23(29-22)25(15,3)19(16)11-12-24(17,18)2/h14-19,22-23H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19+,22-,23-,24-,25+/m1/s1 |
| InChIKey |
UZZACYXDRWBYHG-BCSOTUEBSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)C[C@@]3([C@]2([C@@]2([C@@]([C@@]4(CC[C@@]([C@]4(CC2)C)([C@@](CCC(=O)OC)(C)[H])[H])[H])([H])CC3)[H])C)[H])(O1)[H])[H] |
| SPLASH |
splash10-0udr-0049200000-106bc328c3b636185b3b |
| Source of Spectrum |
SK-31-1218-7 |
| Synonyms |
Methyl (4R)-4-[(2aS,3aS,3bS,3cS,5aR,6R,8aS,8bS,10aR)-3b,5a-dimethyl-2-oxohexadecahydro-1H-cyclopenta[7,8]phenanthro[3,4-b]oxiren-6-yl]pentanoate |
| Wiley ID |
881853 |
