| SpectraBase Spectrum ID |
97k8bjRe3Z1 |
| Name |
4-.beta.,5-.beta.-Epoxycholest-3.beta.-yl benzoate |
| Alternate Name(s) |
(1aS,2S,4aR,6aR,7R,11aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxiren-2-yl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H50O3 |
| InChI |
InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)26-14-15-27-25-16-21-34-30(37-34)29(36-31(35)24-12-7-6-8-13-24)18-20-33(34,5)28(25)17-19-32(26,27)4/h6-8,12-13,22-23,25-30H,9-11,14-21H2,1-5H3/t23-,25?,26-,27?,28?,29+,30+,32-,33-,34+/m1/s1 |
| InChIKey |
FPUYDABSMQPFHL-YJVOLXMLSA-N |
| Molecular Weight |
506.771 g/mol |
| SMILES |
[C@@]123[C@]([C@@](OC(=O)c4ccccc4)(CC[C@@]1(C1CC[C@]4(C(C1CC2)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C)[H])(O3)[H] |
| SPLASH |
splash10-001i-0019000000-4f2869e9613febbcf05a |
| Source of Spectrum |
SK-25-934-2 |
| Wiley ID |
866632 |
