benzoic acid [(1S,2S,4aS,4bR,8aR,10aR)-1-(benzoyloxymethyl)-8-keto-1,4a,8a-trimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl] ester
Compound with spectra: 1 NMR
![benzoic acid [(1S,2S,4aS,4bR,8aR,10aR)-1-(benzoyloxymethyl)-8-keto-1,4a,8a-trimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl] ester](/api/compound/9845DlS9NaF.png?ph=true&h=300&w=458 "benzoic acid [(1S,2S,4aS,4bR,8aR,10aR)-1-(benzoyloxymethyl)-8-keto-1,4a,8a-trimethyl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-2-yl] ester")
| SpectraBase Compound ID | 9845DlS9NaF |
|---|---|
| InChI | InChI=1S/C32H38O5/c1-30-20-18-27(37-29(35)23-13-8-5-9-14-23)32(3,21-36-28(34)22-11-6-4-7-12-22)25(30)17-19-31(2)24(30)15-10-16-26(31)33/h4-9,11-14,24-25,27H,10,15-21H2,1-3H3/t24-,25-,27+,30-,31-,32-/m1/s1 |
| InChIKey | OOLLSIJFSMYREO-NGZLQMHNSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C32H38O5 |
| Exact Mass | 502.271924 g/mol |
| Enantiomer InChIKey | OOLLSIJFSMYREO-DUUAEUAZSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
Kaurane-3,16,18-triol, 3,18-diacetate, (3.alpha.,4.beta.)-
METHYL-(13S)-8-ALPHA,13:13,17-DIEPOXY-14,15-DINORLABDAN-19-OATE
3-BETA,15-BETA-DIACETOXY-ENT-KAURENE
No Name
12-O-Deacetylnorscalaral B
6,11-Bis(acetoxymethyl)-5-methylene-1,7,11-trimethyltricyclo[8.4.0.0(2,7)]tetradecan-12-one
3-O-ACETOXY-18-HYDROXYLINEAROL
METHYL-(13S)-ENT-3-ALPHA,16-DIHYDROXY-8-ALPHA,13-EPOXY-LABD-14-EN-18-OATE
ENT-11-ALPHA,13,16-ALPHA,17-TETRAHYDROXYKAURAN_19-OIC_ACID
ENT-11-BETA,13,16-BETA,17-TETRAHYDROXY-KAURAN-19-OIC-ACID
| Title | Journal or Book | Year |
|---|---|---|
| 1H and13C NMR assignments and stereochemistry ofd,l-isospongiadiol and six spongian intermediates | Magnetic Resonance in Chemistry | 1998 |