| SpectraBase Compound ID | 6f3WZSqb1yK |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3 |
| InChIKey | PQQIABJSQBQEFM-UHFFFAOYSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JVzGlCDqScD |
|---|---|
| Name | Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, methyl ester, (2.alpha.,3.beta.,4.alpha.)- |
| Alternate Name(s) | Methyl 2,3,23-trihydroxyolean-12-en-28-oate 10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Methyl 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Methyl 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Olean-12-en-28-oic acid, 2.beta.,3.beta.,23-trihydroxy-, methyl ester Methyl arjunolate Olean-12-en-28-oic acid, 2.alpha.,3.beta.,23-trihydroxy-, methyl ester |
| CAS Registry Number | 22425-81-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-26(2)12-14-31(25(35)36-7)15-13-29(5)19(20(31)16-26)8-9-23-27(3)17-21(33)24(34)28(4,18-32)22(27)10-11-30(23,29)6/h8,20-24,32-34H,9-18H2,1-7H3 |
| InChIKey | PQQIABJSQBQEFM-UHFFFAOYSA-N |
| Molecular Weight | 502.736 g/mol |
| SMILES | OCC1(C(C(CC2(C1CCC1(C2CC=C2C1(CCC1(C2CC(CC1)(C)C)C(OC)=O)C)C)C)O)O)C |
| SPLASH | splash10-0w29-6790100000-3ceb6f108d5f308c0fc5 |
| Source of Spectrum | AD-0-3267-0 |
| Wiley ID | 63065 |