| SpectraBase Spectrum ID |
Dkxul5YOsNM |
| Name |
Pregnanediol-M/A (-H2O) AC |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.271530397 u |
| Formula |
C23H36O2 |
| InChI |
InChI=1S/C23H36O2/c1-15(25-16(2)24)19-10-11-20-18-9-8-17-7-5-6-13-22(17,3)21(18)12-14-23(19,20)4/h5,7,15,17-21H,6,8-14H2,1-4H3/t15?,17?,18-,19?,20-,21-,22-,23+/m0/s1 |
| InChIKey |
QDFOTWFXLRZDCD-ZGPSOVSKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.539 g/mol |
| Nominal Mass |
344 u |
| Quality |
917 |
| Retention Index |
2710 |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(CC3)C=CCC4)C)(CC[C@@]2(C(CC1)C(OC(=O)C)C)C)[H])[H])[H] |
| SPLASH |
splash10-00lu-5970000000-86598c6e5cf99e657d9f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-((3aS,3bR,9aS,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9a,9b,10,11,11a-\rtetradecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003708 |
