| SpectraBase Spectrum ID |
C3zajQONid1 |
| Name |
Pregn-5-ene-20-carboxylic acid, 1,3-dihydroxy-, (1.alpha.,3.beta.,20S)- |
| Alternate Name(s) |
(20S)-1.alpha.,3.beta.-dihydroxy-5-pregnen-20-carboxylic acid
(2S)-2-[(1S,2R,3S,5R,10S,11S,14R,15S)-3,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]propanoic acid |
| CAS Registry Number |
66875-24-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-12(20(25)26)16-6-7-17-15-5-4-13-10-14(23)11-19(24)22(13,3)18(15)8-9-21(16,17)2/h4,12,14-19,23-24H,5-11H2,1-3H3,(H,25,26)/t12-,14+,15-,16+,17-,18-,19-,21+,22-/m0/s1 |
| InChIKey |
ZQMLPILRZZVCSV-QDJIKWNLSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
OC([C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])=O |
| SPLASH |
splash10-0a4i-0917000000-29ecb5112766df907a86 |
| Source of Spectrum |
H-65-1509-0 |
| Wiley ID |
1349841 |
