| SpectraBase Spectrum ID |
Ib6dqyFwM0z |
| Name |
Cholan-24-oic acid, 3-(acetyloxy)-12-hydroxy-21-oxo-23-(phenylthio)-, methyl ester, (3.beta.,5.beta.,12.alpha.,23S)- |
| CAS Registry Number |
113565-21-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H46O6S |
| InChI |
InChI=1S/C33H46O6S/c1-20(35)39-23-14-15-32(2)22(17-23)10-11-25-27-13-12-26(33(27,3)30(36)18-28(25)32)21(19-34)16-29(31(37)38-4)40-24-8-6-5-7-9-24/h5-9,19,21-23,25-30,36H,10-18H2,1-4H3/t21-,22-,23+,25+,26-,27+,28+,29+,30+,32+,33-/m1/s1 |
| InChIKey |
ZFDDICCNAXAZMD-FOOJXWHKSA-N |
| Molecular Weight |
570.785 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C1)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]2([C@](C[C@@](C(=O)OC)(Sc1ccccc1)[H])(C=O)[H])[H])[H])C)[H] |
| SPLASH |
splash10-052f-0912000000-06eccc44f15afdf53742 |
| Source of Spectrum |
F-43-2051-21 |
| Synonyms |
Cholan-24-oic acid, 3-(acetyloxy)-12-hydroxy-21-oxo-23-(phenylthio)-, methyl ester, (3.beta.,5.beta.,12.alpha.,20S,23S)-
Methyl (23E)-3.beta.-acetoxy-12.alpha.-hydroxy-21-oxo-23-phenylthio-5.beta.,20e-cholan-24-oate
Methyl (2S,4S)-4-[(1S,2S,5S,7R,10R,11S,14R,15S,16S)-5-(acetyloxy)-16-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]-5-oxo-2-(phenylsulfanyl)pentanoate |
| Wiley ID |
1407720 |
