| SpectraBase Compound ID | 4ESTL61yLlR |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h10,22,24-26H,11-20H2,1-9H3/t22?,24-,25+,26-,29+,30+,31+,32-/m0/s1 |
| InChIKey | BBIBQROZEQEFRD-DSKVETQZSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HMTZHrTrHTu |
|---|---|
| Name | D:C-Friedoolean-7-en-3-ol, acetate, (3.beta.)- |
| Alternate Name(s) | (3S,4aR,6bS,8aR,12aR,12bS,14bR)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate |
| CAS Registry Number | 53298-81-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h10,22,24-26H,11-20H2,1-9H3/t22?,24-,25+,26-,29+,30+,31+,32-/m0/s1 |
| InChIKey | BBIBQROZEQEFRD-DSKVETQZSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | [C@@]12(C=3C([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(OC(=O)C)[H])C)CC[C@]2([C@@]2(CC(C)(C)CC[C@@]2(CC1)C)[H])C)C |
| SPLASH | splash10-0006-9042300000-835c6efb7c7be70fc61b |
| Source of Spectrum | W5-36057-29479-29479 |
| Wiley ID | 1392536 |