| SpectraBase Spectrum ID |
IDbYFVvTla6 |
| Name |
(7Z,22E)-5,6-seco-Cholesta-7,22-diene-3.beta.,5.beta.,6-triol |
| Alternate Name(s) |
(1S,3S,4R)-4-[(1R,3aR,4Z,7aR)-1-[(1R,2E)-1,5-dimethyl-2-hexenyl]-4-(2-hydroxyethylidene)-7a-methyloctahydro-1H-inden-5-yl]-4-methyl-1,3-cyclohexanediol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O3 |
| InChI |
InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h6,8,13,18-20,22-25,28-30H,7,9-12,14-17H2,1-5H3/b8-6+,21-13-/t19-,20+,22-,23+,24?,25+,26-,27-/m1/s1 |
| InChIKey |
KGIPQHXEDZVYGK-NYEFNJAHSA-N |
| Molecular Weight |
418.662 g/mol |
| SMILES |
OC\C=C/1[C@]2([C@](CCC1[C@@]1([C@](C[C@](CC1)(O)[H])(O)[H])C)([C@](CC2)([C@@](\C=C\CC(C)C)(C)[H])[H])C)[H] |
| SPLASH |
splash10-00b9-0893100000-1dba8c48f4b94fd19234 |
| Source of Spectrum |
X2-53-570-2 |
| Wiley ID |
1603541 |
