| SpectraBase Spectrum ID |
Gia63MBFBUw |
| Name |
3a-Acetoxy-6s-acetoxymethyl-pregna-5(10)-en-20-one |
| Alternate Name(s) |
((3S,6R,8S,9S,13S,14S,17S)-3-acetoxy-17-acetyl-13-methyl-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl)methyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-14(26)23-7-8-24-22-11-17(13-29-15(2)27)21-12-18(30-16(3)28)5-6-19(21)20(22)9-10-25(23,24)4/h17-18,20,22-24H,5-13H2,1-4H3/t17-,18-,20+,22+,23+,24-,25+/m0/s1 |
| InChIKey |
LTGHBDXXXAILGY-UNPYRSFQSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
416.558 g/mol |
| SMILES |
C1[C@](OC(=O)C)(CC=2[C@@](C[C@@]3([C@]([H])(CC[C@@]4([C@](CC[C@@]34[H])(C(C)=O)[H])C)C2C1)[H])(COC(C)=O)[H])[H] |
| SPLASH |
splash10-0pdm-3980000000-52d1f7bf28082e1f212f |
| Source of Spectrum |
A1-14-3692/SM10-7b |
| Wiley ID |
1750352 |
