| SpectraBase Spectrum ID |
6gGu4IJOMQR |
| Name |
Cholan-24-oic acid, 7,12-dihydroxy-3-(1-oxopropoxy)-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)- |
| CAS Registry Number |
54047-80-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O6 |
| InChI |
InChI=1S/C28H46O6/c1-6-24(31)34-18-11-12-27(3)17(13-18)14-22(29)26-20-9-8-19(16(2)7-10-25(32)33-5)28(20,4)23(30)15-21(26)27/h16-23,26,29-30H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1 |
| InChIKey |
RNOQEVCNRQQPJK-VVHBOOHCSA-N |
| Molecular Weight |
478.670 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(C1)[H])(CC[C@](C4)(OC(=O)CC)[H])C)[H])(O)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0gbc-0059400000-a767f3aa9354cec6a0d6 |
| Source of Spectrum |
J-45-339-0 |
| Synonyms |
(3alpha,5beta,7alpha,12alpha)-7,12-dihydroxy-24-methoxy-24-oxocholan-3-yl propionate
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-7,12-dihydroxy-3-(1-oxopropoxy)cholan-24-oic acid |
| Wiley ID |
1394842 |
