| SpectraBase Spectrum ID |
KWUiH1ddm21 |
| Name |
(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one |
| Alternate Name(s) |
Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22R)-
Ecdysone
AI3-44726
BRN 2422986
CCRIS 6931
EINECS 222-760-4 |
| CAS Registry Number |
3604-87-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O6 |
| InChI |
InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27?/m0/s1 |
| InChIKey |
UPEZCKBFRMILAV-ORTQDDKHSA-N |
| Molecular Weight |
464.643 g/mol |
| SMILES |
OC(CC[C@]([C@]([C@@]1([C@]2(CC[C@]3(C(C2(CC1)O)=CC([C@@]1(C[C@]([C@](C[C@]31C)(O)[H])(O)[H])[H])=O)[H])C)[H])(C)[H])(O)[H])(C)C |
| SPLASH |
splash10-0002-0001900000-6324bcc46340f38b2254 |
| Source of Spectrum |
X4-22-739-0 |
| Wiley ID |
1586001 |
