| SpectraBase Spectrum ID |
meMaQc63cf |
| Name |
3a-Acetoxy-6s-(tertbutyloxymethyl)-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(3S,6R,8S,9S,13S,14S,17S)-17-acetyl-6-(tert-butoxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-16(28)24-9-10-25-23-13-18(15-30-26(3,4)5)22-14-19(31-17(2)29)7-8-20(22)21(23)11-12-27(24,25)6/h18-19,21,23-25H,7-15H2,1-6H3/t18-,19-,21+,23+,24+,25-,27+/m0/s1 |
| InChIKey |
DFXWPJLLWCZWCH-STUDTKNSSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1[C@](OC(=O)C)(CC2=C(C1)[C@@]1([C@](C[C@]2(COC(C)(C)C)[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0a59-9231000000-0468c7710b2f0d3e9a70 |
| Source of Spectrum |
A1-14-3692/SM9-7d |
| Wiley ID |
1750354 |
