| SpectraBase Compound ID | Cf6xoWkNunP |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3 |
| InChIKey | RQWXHGLRDYGNGZ-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 | HjsXgmjpNdC |
|---|---|
| Name | Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, methyl ester, (2.alpha.,3.beta.)- |
| CAS Registry Number | 13850-15-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3 |
| InChIKey | RQWXHGLRDYGNGZ-UHFFFAOYSA-N |
| Molecular Weight | 502.736 g/mol |
| SMILES | OC1CC2(C(C(C1O)(C)C)CCC1(C2CC=C2C1(CCC1(C2C(C(CC1)C)(C)O)C(OC)=O)C)C)C |
| SPLASH | splash10-05r1-3930000000-bfcb9778139e7ac9d1b2 |
| Source of Spectrum | T-66-2578-0 |
| Synonyms | Methyl 2,3,19-trihydroxyurs-12-en-28-oate 1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Methyl 1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Methyl 1,2,6a,6b,9,9,12a-heptamethyl-1,10,11-tris(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Tormentic acid, methyl ester Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, methyl ester, (2alpha,3beta)- Urs-12-en-28-oic acid, 2.alpha.,3.beta.,19-trihydroxy-, methyl ester |
| Wiley ID | 63061 |