| SpectraBase Spectrum ID |
70UAX6LfgoU |
| Name |
Chola-5,23-diene-3,22-diol, 3-acetate, (3.beta.,22S)- |
| CAS Registry Number |
108211-51-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H40O3 |
| InChI |
InChI=1S/C26H40O3/c1-6-24(28)16(2)21-9-10-22-20-8-7-18-15-19(29-17(3)27)11-13-25(18,4)23(20)12-14-26(21,22)5/h6-7,16,19-24,28H,1,8-15H2,2-5H3/t16-,19-,20-,21+,22-,23-,24?,25-,26+/m0/s1 |
| InChIKey |
NDMJFUFRNCMECC-YVWZOOKYSA-N |
| Molecular Weight |
400.603 g/mol |
| SMILES |
OC([C@]([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC1)[H])C)[H])(C)[H])C=C |
| SPLASH |
splash10-001i-9044000000-602af9ea4db9e45ea110 |
| Source of Spectrum |
J-52-2588-3 |
| Synonyms |
(22S)-3.beta.-acetoxychola-5,23-dien-22-ol
(3beta)-22-hydroxychola-5,23-dien-3-yl acetate |
| Wiley ID |
1369644 |
