| SpectraBase Compound ID | 71fbpe7Cej4 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYtZtveli3S |
|---|---|
| Name | Lup-20(29)-en-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-QGTGJCAVSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]3([C@]4([C@@]([C@]5([C@](C(=C)C)(CC[C@@]5(CC4)C)[H])[H])(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)[H])(C)C)[H] |
| SPLASH | splash10-0002-9310000000-6d61107e1fc55c1eaa13 |
| Source of Spectrum | X3-35-618-L |
| Synonyms | Lupeol (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-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-ol |
| Wiley ID | 1691729 |