| SpectraBase Compound ID | Fr9BSKpV9Vb |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-18(2)19-11-14-31(26(34)35-8)16-15-29(6)20(24(19)31)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h19-25,32-33H,1,9-17H2,2-8H3 |
| InChIKey | ZYVYVSDVVCCWKV-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 | KOyuF4VZDCl |
|---|---|
| Name | Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-, methyl ester, (2.alpha.,3.beta.)- |
| CAS Registry Number | 6831-09-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-18(2)19-11-14-31(26(34)35-8)16-15-29(6)20(24(19)31)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h19-25,32-33H,1,9-17H2,2-8H3 |
| InChIKey | ZYVYVSDVVCCWKV-UHFFFAOYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1CC2(C(C(C1O)(C)C)CCC1(C2CCC2C1(CCC1(C2C(CC1)C(C)=C)C(OC)=O)C)C)C |
| SPLASH | splash10-000j-0890200000-b706b6fb92f73ed3f776 |
| Source of Spectrum | W5-36462-29074-29074 |
| Synonyms | Methyl 2,3-dihydroxylup-20(29)-en-28-oate 9,10-dihydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester 9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester Methyl 5a,5b,8,8,11a-pentamethyl-9,10-bis(oxidanyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl 9,10-dihydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl 9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Wiley ID | 1396566 |