| SpectraBase Spectrum ID |
2qOhr1cRBKb |
| Name |
Pregnane-2,3-en-20-oxo-16S-pivalate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H40O3 |
| InChI |
InChI=1S/C26H40O3/c1-16(27)22-21(29-23(28)24(2,3)4)15-20-18-11-10-17-9-7-8-13-25(17,5)19(18)12-14-26(20,22)6/h7-8,17-22H,9-15H2,1-6H3/t17-,18-,19+,20+,21+,22+,25+,26+/m1/s1 |
| InChIKey |
LAJSUXZQHHOFTK-SOEMFMDESA-N |
| Literature Reference DOI |
10.1002/cjoc.201500231 |
| Molecular Weight |
400.603 g/mol |
| SMILES |
C1=CC[C@@]2(CC[C@@]3([C@@](CC[C@@]4([C@]([C@](C[C@@]34[H])(OC(C(C)(C)C)=O)[H])(C(=O)C)[H])C)([H])[C@]2(C1)C)[H])[H] |
| SPLASH |
splash10-0a4i-9030000000-4587362e25436e81d403 |
| Source of Spectrum |
CJC-33-670-9 |
| Synonyms |
(5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl pivalate |
| Wiley ID |
1785162 |
