| SpectraBase Spectrum ID |
EKkn8o5CsGT |
| Name |
(2'S)-17.beta.-propanoyloxy-1.alpha(1')-3.alpha.(3')-(2'-hydroxypropano)-4-androsten-3.beta.-ol |
| Alternate Name(s) |
(1S,2R,3S,6S,10S,11R,16R,18R)-16,18-dihydroxy-2,6-dimethylpentacyclo[14.3.1.0(2,14).0(3,11).0(6,10)]icos-14-en-7-yl propionate |
| CAS Registry Number |
115115-70-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-4-22(27)29-21-8-7-19-18-6-5-15-12-25(28)13-16(11-17(26)14-25)24(15,3)20(18)9-10-23(19,21)2/h12,16-21,26,28H,4-11,13-14H2,1-3H3/t16-,17+,18-,19-,20-,21?,23-,24+,25+/m0/s1 |
| InChIKey |
MMCBOWXBVHGSQU-SPXLPSMMSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
O[C@@]1(C[C@]2(C[C@](C=C3[C@]2([C@]2(CC[C@@]4(C(CC[C@]4([C@@]2(CC3)[H])[H])OC(=O)CC)C)[H])C)(C1)O)[H])[H] |
| SPLASH |
splash10-0f79-0009700000-687de40cee8b0e700142 |
| Source of Spectrum |
F-43-2133-8 |
| Wiley ID |
1370567 |
