| SpectraBase Spectrum ID |
3gxtn5T0j3F |
| 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 © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| 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 |
456.3018 |
| SMILES |
C1=2C(CCC(OC(c3ccccc3)=O)C1)(C)C1CCC3(C(C1=CC2)CCC3C(C)CCC#C)C |
| SPLASH |
splash10-053r-4933000000-c01ebe984ed086c2e590 |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
![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/3gxtn5T0j3F/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")
