| SpectraBase Compound ID | EPr4BVXrDsS |
|---|---|
| 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 |
| InChIKey | MQYXUWHLBZFQQO-UHFFFAOYSA-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 | 9Qk7qRh4ImK |
|---|---|
| Name | Lup-20(29)-en-3-ol, (3.beta.)- |
| CAS Registry Number | 545-47-1 |
| Comments | Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 862538 moved to the Legacy library |
| 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 |
| InChIKey | MQYXUWHLBZFQQO-UHFFFAOYSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | OC1C(C2CCC3(C4(C(C5C(C(=C)C)CCC5(CC4)C)CCC3C2(CC1)C)C)C)(C)C |
| SPLASH | splash10-014i-9010000000-7e88697a5cb5985ef4c0 |
| Source of Spectrum | QA-44-380-8 |
| Synonyms | Lup-20(29)-en-3-ol (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-ol (3-BETA)-LUP-20(29)-EN-3-OL .beta.-Viscol 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-ol 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv. 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 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 Clerodol Fagarasterol Fagarsterol LUP-20(29)-EN-3-OL, (3-BETA)- Lup-20(29)-en-3.beta.-ol Lupenol Lupeol Monogynol B Triterpene lupeol EINECS 208-889-9 NSC 90487 |
| Wiley ID | 1821290 |