| SpectraBase Spectrum ID |
9Lls5mC0v8I |
| Name |
Methyl 3.alpha.,7.beta.-Diacetoxy-5.beta.-chol-16-en-24-oate |
| Alternate Name(s) |
(3alpha,5beta,7beta)-3-(acetyloxy)-24-methoxy-24-oxochol-16-en-7-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44O6 |
| InChI |
InChI=1S/C29H44O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h8,17,20-21,23-25,27H,7,9-16H2,1-6H3/t17-,20+,21-,23+,24+,25+,27+,28+,29-/m1/s1 |
| InChIKey |
KBCPUYDMJACGFC-KBYFYSQMSA-N |
| Molecular Weight |
488.665 g/mol |
| SMILES |
[C@@]1(CC[C@]2([C@@](C1)(C[C@@]([C@]1([C@@]3(CC=C([C@@](CCC(=O)OC)(C)[H])[C@@]3(C)CC[C@]21[H])[H])[H])(OC(=O)C)[H])[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-0udi-0095100000-7e73001fdb5cbabaa3b7 |
| Source of Spectrum |
E2-50-1332-11 |
| Wiley ID |
1555955 |
