| SpectraBase Spectrum ID |
B0YPVqDgCEi |
| Name |
3a-Acetoxy-B-homo-6as-allyloxy-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-(allyloxy)-12a-methyl-1,2,3,3a,3b,4,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H38O4 |
| InChI |
InChI=1S/C26H38O4/c1-5-12-29-20-14-18-13-19(30-17(3)28)6-7-21(18)22-10-11-26(4)24(16(2)27)8-9-25(26)23(22)15-20/h5,19-20,22-25H,1,6-15H2,2-4H3/t19-,20-,22+,23+,24+,25-,26+/m0/s1 |
| InChIKey |
XPMTXEYFIBZUKE-SBCXBQJGSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
414.586 g/mol |
| SMILES |
C1[C@@](CC=2C[C@@](C[C@@]3([C@]([H])(CC[C@@]4([C@](CC[C@@]34[H])(C(C)=O)[H])C)C2C1)[H])(OCC=C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0nu1-7934000000-a06717e61c585267267b |
| Source of Spectrum |
A1-14-3692/SM5-6d |
| Wiley ID |
1750345 |
