| SpectraBase Compound ID | 4Cxq6Vniw1F |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3 |
| InChIKey | BRZWXKGDPAZBLF-UHFFFAOYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8KIsgrXPcsy |
|---|---|
| Name | Methyl 2,3-dihydroxyurs-12-en-28-oate |
| CAS Registry Number | 4518-70-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,18-19,21-25,32-33H,10-17H2,1-8H3 |
| InChIKey | BRZWXKGDPAZBLF-UHFFFAOYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1C(C(C2C(C1)(C1CC=C3C(C1(CC2)C)(CCC1(C3C(C(CC1)C)C)C(OC)=O)C)C)(C)C)O |
| SPLASH | splash10-0ik9-0090000000-b65729caa28a5504336d |
| Source of Spectrum | W5-1989-37453-28083 |
| Synonyms | 10,11-dihydroxy-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-10,11-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Methyl 10,11-dihydroxy-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 2.alpha.,3.beta.-dihydroxyurs-12-en-28-oate |
| Wiley ID | 1396582 |