| SpectraBase Spectrum ID |
DcZsL5glSHx |
| Name |
4,5-Secocholest-8-en-3-one, 5-ethylidene-14-methyl- |
| CAS Registry Number |
58545-10-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-9-24-13-14-27-26(28(24,6)18-15-23(5)31)17-20-29(7)25(16-19-30(27,29)8)22(4)12-10-11-21(2)3/h9,21-22,25H,10-20H2,1-8H3/b24-9+/t22-,25-,28+,29-,30+/m1/s1 |
| InChIKey |
YEFDNPLXRICWDD-WKMNHABZSA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
[C@@]12(C3=C([C@](CCC(=O)C)(C)\C(CC3)=C\C)CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])C)C |
| SPLASH |
splash10-0a4i-0009000000-f4fd445f3c8064af799b |
| Source of Spectrum |
B-28-6554-0 |
| Synonyms |
3-Methyl-28-nor-3,4-seco-5.alpha.-lanosta-4,8-dien-3-one
4-{(3R,3aR,6S,7E,9bR)-3-[(1R)-1,5-dimethylhexyl]-7-ethylidene-3a,6,9b-trimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl}-2-butanone |
| Wiley ID |
1380218 |
