| SpectraBase Compound ID | 2L0nGCiRVVN |
|---|---|
| InChI | InChI=1S/C33H48O2/c1-22(2)11-12-23(3)28-15-16-29-27-14-13-25-21-26(35-31(34)24-9-7-6-8-10-24)17-19-32(25,4)30(27)18-20-33(28,29)5/h6-10,13,22-23,26-30H,11-12,14-21H2,1-5H3 |
| InChIKey | XMQMTRIZNIBZKO-UHFFFAOYSA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C33H48O2 |
| Exact Mass | 476.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7A3Hpu4IfDd |
|---|---|
| Name | 26,27-Dinorergost-5-en-3-ol, benzoate, (3.beta.)- |
| CAS Registry Number | 58003-48-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H48O2 |
| InChI | InChI=1S/C33H48O2/c1-22(2)11-12-23(3)28-15-16-29-27-14-13-25-21-26(35-31(34)24-9-7-6-8-10-24)17-19-32(25,4)30(27)18-20-33(28,29)5/h6-10,13,22-23,26-30H,11-12,14-21H2,1-5H3 |
| InChIKey | XMQMTRIZNIBZKO-UHFFFAOYSA-N |
| Molecular Weight | 476.745 g/mol |
| SMILES | CC(C)CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(c1ccccc1)=O |
| SPLASH | splash10-066r-7924000000-1e8601159a6f7fa9b78b |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | benzoic acid [10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1,4-dimethylpentyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate |
| Wiley ID | 1394462 |