| SpectraBase Compound ID | DgJnuZV1HYJ |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(24)20-18(21(4,5)25-17(3)23)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1 |
| InChIKey | MHVGGXRUWKWUJE-ASFQSAAXSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L4f3DOTl4aG |
|---|---|
| Name | (1R,2E,4R,7E,10S,11S,12R)-18-Acetoxy-10-hydroxy-2,7-dolabelladiene |
| Alternate Name(s) | 1-[(1R,3aR,6R,12S,12aS)-12-hydroxy-3a,6,10-trimethyl-1,2,3,3a,6,7,8,11,12,12a-decahydrocyclopenta[a]cycloundecen-1-yl]-1-methylethyl acetate Acetic acid 2-[(1R,3aR,4E,6R,9E,12S,12aS)-12-hydroxy-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-yl ester 2-[(1R,3aR,4E,6R,9E,12S,12aS)-12-hydroxy-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-yl acetate [1-[(1R,3aR,4E,6R,9E,12S,12aS)-12-hydroxy-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]-1-methyl-ethyl] acetate 2-[(1R,3aR,4E,6R,9E,12S,12aS)-3a,6,10-trimethyl-12-oxidanyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-yl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(24)20-18(21(4,5)25-17(3)23)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1 |
| InChIKey | MHVGGXRUWKWUJE-ASFQSAAXSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | O[C@@]1([C@]2([C@](C(OC(=O)C)(C)C)(CC[C@@]2(\C=C\[C@@](CC\C=C\(C1)C)(C)[H])C)[H])[H])[H] |
| SPLASH | splash10-060r-5910000000-88c42e85be8377b31cfe |
| Source of Spectrum | F-53-8685-2 |
| Wiley ID | 802774 |