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(1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-1-isopropenyl-5b,8,8,11a-tetramethyl-5a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-1-isopropenyl-5b,8,8,11a-tetramethyl-5a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester
SpectraBase Compound ID 8YvruR8s77b
InChI InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3/t20-,21?,22-,23+,24+,25+,28-,29+,30-,31-/m0/s1
InChIKey UEBDDJDCLTYODS-PYFNVKPPSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KL9k8DqdeEU
Name (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-1-isopropenyl-5b,8,8,11a-tetramethyl-5a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3/t20-,21?,22-,23+,24+,25+,28-,29+,30-,31-/m0/s1
InChIKey UEBDDJDCLTYODS-PYFNVKPPSA-N
Molecular Weight 486.737 g/mol
SMILES O[C@@]1(CC[C@@]2([C@@]3([C@]([C@]4(CO)CC[C@]5(CC[C@]([C@@]5(C4CC3)[H])(C(=C)C)[H])C(=O)OC)(CC[C@]2(C1(C)C)[H])C)[H])C)[H]
SPLASH splash10-0a4r-0640900000-cc18a3e8c9436d39e8d7
Source of Spectrum G4-63-392-1
Synonyms (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-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 (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-9-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 (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-5a-(hydroxymethyl)-1-isopropenyl-5b,8,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate Methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-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 1608291