| SpectraBase Spectrum ID |
3mkJ9e1Gm6b |
| Name |
14-Oxo-13,14-seco-5.alpha.-cholest-13(18)-en-3.beta.-yl acetate |
| Alternate Name(s) |
(3S,4aS,10R,13bS)-10-[(1R)-1,5-dimethylhexyl]-13b-methyl-11-methylene-7-oxohexadecahydro-1H-cyclonona[a]naphthalen-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-19(2)8-7-9-20(3)25-13-15-28(31)26-12-11-23-18-24(32-22(5)30)16-17-29(23,6)27(26)14-10-21(25)4/h19-20,23-27H,4,7-18H2,1-3,5-6H3/t20-,23+,24+,25-,26?,27?,29+/m1/s1 |
| InChIKey |
NDJMTJZSOBGWBV-PHHWKIPFSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
[C@]12(C3C(C(CC[C@@](C(CC3)=C)([C@@](CCCC(C)C)(C)[H])[H])=O)CC[C@]1(C[C@@](OC(=O)C)(CC2)[H])[H])C |
| SPLASH |
splash10-00e9-0096300000-c62b3d266e728518e991 |
| Source of Spectrum |
H-82-718-6 |
| Wiley ID |
815487 |
