| SpectraBase Compound ID | 5zu9MuinCI1 |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22?,23?,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-HLCVIWTESA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2qjkw3QUF3t |
|---|---|
| Name | (22E)-Stigmasta-7,22-dien-3-ol |
| Alternate Name(s) | (9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| CAS Registry Number | 54482-55-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22?,23?,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JZVFJDZBLUFKCA-HLCVIWTESA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | OC1CC2CC=C3[C@]4([C@]([C@@]([C@@](\C=C\[C@](C(C)C)(CC)[H])(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H] |
| SPLASH | splash10-03di-7391400000-354a23c0c84b0d7dd6f9 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 58099 |