| SpectraBase Spectrum ID |
Kbq2OhITpQn |
| Name |
5.alpha.-pregnanolone oleate |
| Alternate Name(s) |
(5alpha,14beta)-20-oxopregnan-3-yl (9E)-9-octadecenoate
5.alpha.-pregnanolone cis-octadec-9-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H66O3 |
| InChI |
InChI=1S/C39H66O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(41)42-32-25-27-38(3)31(29-32)21-22-33-35-24-23-34(30(2)40)39(35,4)28-26-36(33)38/h12-13,31-36H,5-11,14-29H2,1-4H3/b13-12+/t31-,32?,33-,34+,35+,36-,38-,39+/m0/s1 |
| InChIKey |
VRMZKDGHPVGVHQ-XBULUQJTSA-N |
| Molecular Weight |
582.954 g/mol |
| SMILES |
[C@@]12([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(OC(=O)CCCCCCC\C=C\CCCCCCCC)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH |
splash10-052g-9430000000-1568315e590b8377992d |
| Source of Spectrum |
KO-16-171-6 |
| Wiley ID |
1408709 |
