| SpectraBase Spectrum ID |
BCQWpLpkXuF |
| Name |
3.BETA.-ACETOXY-21-BENZYLIDEN-5.BETA.-PREGNAN-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
448.297745145 u |
| Formula |
C30H40O3 |
| InChI |
InChI=1S/C30H40O3/c1-20(31)33-23-15-17-29(2)22(19-23)10-11-24-25-12-13-27(30(25,3)18-16-26(24)29)28(32)14-9-21-7-5-4-6-8-21/h4-9,14,22-27H,10-13,15-19H2,1-3H3/b14-9-/t22-,23+,24+,25+,26+,27-,29+,30+/m1/s1 |
| InChIKey |
SWTNFHMWIPZFLE-WDHXMJARSA-N |
| Molecular Weight |
448.647 g/mol |
| Nominal Mass |
448 u |
| Number of Peaks |
349 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(C(\C=C/c1ccccc1)=O)[H])C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-001i-5921000000-63ea4b2b266fe22ce491 |
| Source File Reference |
LMCM-93954-847X |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
5B-PREGNANON(20), 3B-ACETOXY-21-BENZYLIDEN-
(1S,2S,5S,7R,10R,11S,14S,15S)-2,15-dimethyl-14-[(2Z)-3-phenylprop-2-enoyl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate |
| Wiley ID |
8_40336 |
