| SpectraBase Compound ID | FWHz8YzQce1 |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3 |
| InChIKey | PTVQHIGQUFDPIQ-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 | 5OqO6Ut7m0 |
|---|---|
| Name | Methyl 2,3,23-trihydroxyurs-12-en-28-oate |
| Alternate Name(s) | 10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester Methyl 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Methyl 2.alpha.,3.beta.,23-trihydroxyurs-12-en-28-oate Methyl 9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate |
| CAS Registry Number | 20016-63-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3 |
| InChIKey | PTVQHIGQUFDPIQ-UHFFFAOYSA-N |
| Molecular Weight | 502.736 g/mol |
| SMILES | OCC1(C2C(CC(C1O)O)(C1CC=C3C(C1(CC2)C)(CCC1(C3C(C(CC1)C)C)C(OC)=O)C)C)C |
| SPLASH | splash10-0ik9-0090000000-6dba27f8cf8f84f4b30d |
| Source of Spectrum | W5-1989-37455-28081 |
| Wiley ID | 1399306 |