| SpectraBase Spectrum ID |
HIYScCUxhDK |
| Name |
3.beta.-Phenylcholestane-5,10-seco-10-methylene-2,5-dione |
| Alternate Name(s) |
(3R,3aR,13aR,13bS)-3-[(1R)-1,5-dimethylhexyl]-3a-methyl-6-methylene-9-phenyltetradecahydro-1H-cyclodeca[e]indene-8,11-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H48O2 |
| InChI |
InChI=1S/C33H48O2/c1-22(2)10-9-11-23(3)30-16-17-31-28-15-14-26(34)21-29(25-12-7-6-8-13-25)32(35)20-24(4)27(28)18-19-33(30,31)5/h6-8,12-13,22-23,27-31H,4,9-11,14-21H2,1-3,5H3/t23-,27?,28-,29?,30-,31+,33-/m1/s1 |
| InChIKey |
IMCIDABNJHKDJG-KXPYZXKISA-N |
| Molecular Weight |
476.745 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC(CC(C(CC(C3CC2)=C)=O)c2ccccc2)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-004i-0000900000-fc5150242e77edaa68e2 |
| Source of Spectrum |
J-62-2980-13 |
| Wiley ID |
1394463 |
