| SpectraBase Spectrum ID |
Da9v7JC7fFD |
| Name |
Cholest-5-en-16-one, 3,26-bis(benzoyloxy)-, (3.beta.,25R)- |
| Alternate Name(s) |
(25R)-3.beta.,26-dibenzoyloxy-5-cholesten-16-one
(3beta,25R)-26-(benzoyloxy)-16-oxocholest-5-en-3-yl benzoate |
| CAS Registry Number |
71472-90-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H52O5 |
| InChI |
InChI=1S/C41H52O5/c1-27(26-45-38(43)29-14-7-5-8-15-29)12-11-13-28(2)37-36(42)25-35-33-19-18-31-24-32(46-39(44)30-16-9-6-10-17-30)20-22-40(31,3)34(33)21-23-41(35,37)4/h5-10,14-18,27-28,32-35,37H,11-13,19-26H2,1-4H3/t27-,28-,32+,33-,34+,35+,37+,40+,41+/m1/s1 |
| InChIKey |
PURPNNVDFGWOFR-ROPQMXMASA-N |
| Molecular Weight |
624.862 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)[H])(CC([C@@]1([C@@](CCC[C@](COC(=O)c1ccccc1)(C)[H])(C)[H])[H])=O)[H])C |
| SPLASH |
splash10-0bu0-0095000000-490346566e6d0d844464 |
| Source of Spectrum |
K-112-2685-0 |
| Wiley ID |
1411805 |
