| SpectraBase Spectrum ID |
IWYsSqc212L |
| Name |
3a-Acetoxy-B-homo-6as-bromallyloxy-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-((2-bromoallyl)oxy)-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 |
C26H37BrO4 |
| InChI |
InChI=1S/C26H37BrO4/c1-15(27)14-30-20-12-18-11-19(31-17(3)29)5-6-21(18)22-9-10-26(4)24(16(2)28)7-8-25(26)23(22)13-20/h19-20,22-25H,1,5-14H2,2-4H3/t19-,20-,22+,23+,24+,25-,26+/m0/s1 |
| InChIKey |
PFHNEVNVQXMTOH-SBCXBQJGSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
493.482 g/mol |
| SMILES |
C1[C@@](CC2=C(C1)[C@@]1([C@](C[C@](C2)(OCC(=C)Br)[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])(OC(=O)C)[H] |
| SPLASH |
splash10-05mp-7920100000-e8b959cf1d7f55fd29ff |
| Source of Spectrum |
A1-14-3692/SM6-6e |
| Wiley ID |
1750346 |
