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2a,3b-Dihydroxy-fern-9(11)-en-23-oic acid, methylester

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2a,3b-Dihydroxy-fern-9(11)-en-23-oic acid, methylester
SpectraBase Compound ID AnRWiJR6cEj
InChI InChI=1S/C31H50O4/c1-18(2)19-9-11-23-27(19,3)15-16-29(5)21-10-12-24-28(4,20(21)13-14-30(23,29)6)17-22(32)25(33)31(24,7)26(34)35-8/h13,18-19,21-25,32-33H,9-12,14-17H2,1-8H3
InChIKey MDKJSCAXDOOCIA-UHFFFAOYSA-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 AbsyNLY3rQQ
Name Methyl 9,10-dihydroxy-3-isopropyl-3a,5a,8,11a,13a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-8-carboxylate
CAS Registry Number 38242-20-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-18(2)19-9-11-23-27(19,3)15-16-29(5)21-10-12-24-28(4,20(21)13-14-30(23,29)6)17-22(32)25(33)31(24,7)26(34)35-8/h13,18-19,21-25,32-33H,9-12,14-17H2,1-8H3
InChIKey MDKJSCAXDOOCIA-UHFFFAOYSA-N
Molecular Weight 486.737 g/mol
SMILES OC1CC2(C(C(C1O)(C)C(OC)=O)CCC1C3(C(CC=C21)(C1C(CC3)(C(CC1)C(C)C)C)C)C)C
SPLASH splash10-00xr-0036900000-63858f990b5df09db500
Source of Spectrum W5-0-0-0
Synonyms 9,10-dihydroxy-3-isopropyl-3a,5a,8,11a,13a-pentamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid methyl ester 9,10-dihydroxy-3a,5a,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid methyl ester D:C-Friedo-B':A'-neogammacer-9(11)-en-23-oic acid, 2,3-dihydroxy-, methyl ester, (2.alpha.,3.beta.,4.alpha.)- Methyl 3a,5a,8,11a,13a-pentamethyl-9,10-bis(oxidanyl)-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylate Methyl 9,10-dihydroxy-3-isopropyl-3a,5a,8,11a,13a-pentamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylate Methyl 9,10-dihydroxy-3a,5a,8,11a,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8-carboxylate
Wiley ID 1396578