| SpectraBase Spectrum ID |
B19CQ7S2KtE |
| Name |
BENZOIC ACID 10,13-DIMETHYL-17-(1-METHYL-PENT-4-YNYL)-2,3,4,9,10,11,12,13,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ESTER |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
456.302830526 u |
| Formula |
C32H40O2 |
| InChI |
InChI=1S/C32H40O2/c1-5-6-10-22(2)27-15-16-28-26-14-13-24-21-25(34-30(33)23-11-8-7-9-12-23)17-19-31(24,3)29(26)18-20-32(27,28)4/h1,7-9,11-14,22,25,27-29H,6,10,15-21H2,2-4H3 |
| InChIKey |
ITQRXDISJMFCRS-UHFFFAOYSA-N |
| Molecular Weight |
456.670 g/mol |
| Nominal Mass |
456 u |
| Number of Peaks |
348 |
| SMILES |
c1cc(C(OC2CC3=CC=C4C(C3(C)CC2)CCC2(C(CCC42)C(CCC#C)C)C)=O)ccc1 |
| SPLASH |
splash10-053r-4933000000-c01ebe984ed086c2e590 |
| Source File Reference |
LMCM-25679-074S |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
14-(hex-5-yn-2-yl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-yl benzoate |
| Wiley ID |
8_21520 |
![Benzoic acid, 10,13-dimethyl-17-(1-methylpent-4-ynyl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester](/api/spectrum/B19CQ7S2KtE/structure.png?h=300&w=458 "Benzoic acid, 10,13-dimethyl-17-(1-methylpent-4-ynyl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester")
