| SpectraBase Compound ID | 6nRctqfPYdM |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3 |
| InChIKey | YCBSMEKEDOHEQI-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 | 8D58uqV9BAa |
|---|---|
| Name | Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)- |
| CAS Registry Number | 32208-45-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3 |
| InChIKey | YCBSMEKEDOHEQI-UHFFFAOYSA-N |
| Molecular Weight | 470.738 g/mol |
| SMILES | OC1CCC2(C3CC=C4C(CCC5(CCC(C)C(C45)C)C(=O)OC)(C3(CCC2C1(C)C)C)C)C |
| SPLASH | splash10-0mi6-9740000000-a7a6a06fe3aeb3e21f17 |
| Source of Spectrum | AT-62-268-1 |
| Synonyms | Methyl 3-hydroxyurs-12-en-28-oate 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester Methyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Methyl 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Methyl ursolate Urs-12-en-28-oic acid, 3.beta.-hydroxy-, methyl ester Ursolic acid methyl ester EINECS 250-953-3 |
| Wiley ID | 1392982 |