| SpectraBase Spectrum ID |
Cii04RXo2Uw |
| Name |
Cholest-3-en-6-one, 5-hydroxy-, (5.beta.)- |
| CAS Registry Number |
105455-85-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h7,15,18-23,29H,6,8-14,16-17H2,1-5H3/t19-,20+,21-,22+,23+,25-,26-,27-/m1/s1 |
| InChIKey |
LDLZXGJBJHXCBL-ZLLXVZCVSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
O[C@]12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2=O)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC=C1)C |
| SPLASH |
splash10-0a4i-9000200000-66c96c989d51922ce1af |
| Source of Spectrum |
I-65-2211-14 |
| Synonyms |
(5beta)-5-hydroxycholest-3-en-6-one
5-Hydroxy-5.beta.-cholest-3-en-6-one |
| Wiley ID |
1369721 |
