| SpectraBase Spectrum ID |
LVbuWjkPNvE |
| Name |
Pregn-5-ene-20-carboxylic acid, 1,3-dihydroxy-, methyl ester, (1.alpha.,3.beta.,20S)- |
| CAS Registry Number |
66875-25-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)12-20(25)23(14,3)19(16)9-10-22(17,18)2/h5,13,15-20,24-25H,6-12H2,1-4H3/t13-,15+,16-,17+,18-,19-,20-,22+,23-/m0/s1 |
| InChIKey |
GGDNKTUNVWYMJM-RJZBAOLSSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](C(=O)OC)(C)[H])[H])C)[H])C)(O)[H])[H] |
| SPLASH |
splash10-0a4i-6829000000-6fe04f728355c4ce350c |
| Source of Spectrum |
H-65-1510-0 |
| Synonyms |
Methyl (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]propanoate
Methyl ester of (20S)-1.alpha.,3.beta.-dihydroxy-5-pregnen-20-carboxylic acid |
| Wiley ID |
1357960 |
