| SpectraBase Spectrum ID |
48sJaJuJ3hn |
| Name |
3-.beta.-Acetoxy-20-(2-oxo-3-octenyl)pregn-5-ene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H48O3 |
| InChI |
InChI=1S/C31H48O3/c1-6-7-8-9-10-24(33)19-21(2)27-13-14-28-26-12-11-23-20-25(34-22(3)32)15-17-30(23,4)29(26)16-18-31(27,28)5/h9-11,21,25-29H,6-8,12-20H2,1-5H3/b10-9-/t21?,25-,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey |
PXFWRMUSELLKDG-GMWDFOQHSA-N |
| Molecular Weight |
468.722 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(C(CC(\C=C/CCCC)=O)C)[H])[H])C |
| SPLASH |
splash10-0a59-9330000000-db34f4534be720db0304 |
| Source of Spectrum |
AJ-64-2001-6 |
| Synonyms |
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(5Z)-4-oxodec-5-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate |
| Wiley ID |
1392511 |
