| SpectraBase Spectrum ID |
8RDr3RE34Q |
| Name |
1.beta.,3.alpha.-Dihydroxypregna-5,16-dien-20-one |
| Alternate Name(s) |
Tupipregnenolone |
| Appearance |
White amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-24H,5,7-11H2,1-3H3/t14-,15-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey |
POQLDVULDKRFNY-ZCRVARCLSA-N |
| Instrument Name |
JEOL JMS-SX/SX 102A or Quattro GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0203382 |
| Molecular Weight |
330.468 g/mol |
| Optical Rotation |
[a]D24 = -19.3 (c = 0.880, CHCl3) |
| Reported Formula |
C21H30O3 |
| SMILES |
O[C@@]1(C[C@]([C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2C(=O)C)[H])C)[H])[H])C)(O)[H])[H] |
| SPLASH |
splash10-0a4i-9200000000-9531e072fe961e28282a |
| Source of Spectrum |
G4-66-168-7 |
| Wiley ID |
1881218 |
