| SpectraBase Compound ID | 4VqePifUZb7 |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3 |
| InChIKey | XNZIMRUZBOZIBC-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2X415Qv5HFY |
|---|---|
| Name | Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)- |
| CAS Registry Number | 2259-06-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3 |
| InChIKey | XNZIMRUZBOZIBC-UHFFFAOYSA-N |
| Molecular Weight | 470.738 g/mol |
| SMILES | OC1C(C2CCC3(C4(C(C5C(CCC5(CC4)C(=O)OC)C(=C)C)CCC3C2(CC1)C)C)C)(C)C |
| SPLASH | splash10-052r-0930000000-5857ec1bec1e01e78acd |
| Source of Spectrum | C-85-3698-25 |
| Synonyms | Methyl 3-hydroxylup-20(29)-en-28-oate 9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester 9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester Betulinic acid methyl ester Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)- Lup-20(29)-en-28-oic acid, 3.beta.-hydroxy-, methyl ester Methyl 5a,5b,8,8,11a-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl 9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl betulate Methyl betulinate EINECS 218-857-6 NSC 152532 |
| Wiley ID | 1392980 |