| SpectraBase Compound ID | ZQ559BUMF8 |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3 |
| InChIKey | ODSSDTBFHAYYMD-UHFFFAOYSA-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 | HU7S7HendXt |
|---|---|
| Name | Lup-20(29)-en-3-ol, acetate, (3.beta.)- |
| CAS Registry Number | 1617-68-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3 |
| InChIKey | ODSSDTBFHAYYMD-UHFFFAOYSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | CC12C(C3C(C)(CCC3C(C)=C)CC1)CCC1C2(C)CCC2C1(C)CCC(C2(C)C)OC(C)=O |
| SPLASH | splash10-0f9i-0950200000-d0fd6d82fcae36aa8d6f |
| Source of Spectrum | SB-31-634-0 |
| Synonyms | Lup-20(29)-en-3-yl acetate (1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate (3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) acetate (3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) ethanoate 3-Acetyllupeol 3-O-Acetyllupeol Acetic acid (1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) ester Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester Lup-20(29)-en-3-ol, acetate, (3beta)- Lupenyl acetate Lupeol, acetate Lupeyl acetate EINECS 216-575-8 NSC 281806 |
| Wiley ID | 1392534 |