| SpectraBase Spectrum ID |
3yR7D5QOqUP |
| Name |
Stigmasta-5,7-dien-3-ol, benzoate, (3.beta.)- |
| CAS Registry Number |
6020-45-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H52O2 |
| InChI |
InChI=1S/C36H52O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15-16,24-26,29,31-33H,7,13-14,17-23H2,1-6H3/t25-,26-,29+,31-,32+,33+,35+,36-/m1/s1 |
| InChIKey |
TVOUFLHFMRKOMT-CISSYMBRSA-N |
| Molecular Weight |
516.810 g/mol |
| SMILES |
C1=2[C@]3([C@]([C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC3)[H])(C)CC[C@@]1([C@]1(CC[C@](OC(=O)c3ccccc3)(CC1=CC2)[H])C)[H])[H] |
| SPLASH |
splash10-03dl-0029800000-6596fa1ce7c85ee46a91 |
| Source of Spectrum |
EP-2201-0-0 |
| Synonyms |
(3beta)-stigmasta-5,7-dien-3-yl benzoate
7-Dehydro-.beta.-sitosterol benzoate
7-Dehydrositosteryl benzoate
Stigmasta-5,7-dien-3.beta.-ol, benzoate |
| Wiley ID |
1401509 |
