| SpectraBase Spectrum ID |
9Dcfdf00pVc |
| Name |
(3.alpha.,5.beta.,7.alpha.)-3,7-Bis(acetyloxy)-24-norcholan-23-oic acid |
| Alternate Name(s) |
(3R)-3-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-bis(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butanoic acid |
| CAS Registry Number |
72059-84-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O6 |
| InChI |
InChI=1S/C27H42O6/c1-15(12-24(30)31)20-6-7-21-25-22(9-11-27(20,21)5)26(4)10-8-19(32-16(2)28)13-18(26)14-23(25)33-17(3)29/h15,18-23,25H,6-14H2,1-5H3,(H,30,31)/t15-,18+,19-,20-,21+,22+,23-,25+,26+,27-/m1/s1 |
| InChIKey |
HULZRUBDXCIAQT-ZOOZUFFWSA-N |
| Molecular Weight |
462.627 g/mol |
| SMILES |
OC(C[C@]([C@@]1([C@@]2([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC1)[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-002f-0049000000-baf614d3432fa5d96115 |
| Source of Spectrum |
J-45-339-0 |
| Wiley ID |
1391112 |
