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Dimethyl 3-hydroxylup-20(29)-ene-27,28-dioate
SpectraBase Compound ID 1YebDyjqvRC
InChI InChI=1S/C32H50O5/c1-19(2)20-11-16-31(26(34)36-7)17-18-32(27(35)37-8)21(25(20)31)9-10-23-29(5)14-13-24(33)28(3,4)22(29)12-15-30(23,32)6/h20-25,33H,1,9-18H2,2-8H3
InChIKey CUWLUVLGDXWEJV-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C32H50O5
Exact Mass 514.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4z2kUu4AeXf
Name Dimethyl 3-hydroxylup-20(29)-ene-27,28-dioate
Alternate Name(s) 9-Hydroxy-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,5a-dicarboxylic acid dimethyl ester 9-Hydroxy-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,5a-dicarboxylic acid dimethyl ester Dimethyl 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,5a-dicarboxylate Dimethyl 9-hydroxy-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,5a-dicarboxylate Dimethyl 9-hydroxy-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,5a-dicarboxylate Methyl 2.alpha.-carboxymethyl-3.beta.-hydroxy-nor-A(1)-lup-20(29)-en-28-oate
CAS Registry Number 2830-30-0
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Formula C32H50O5
InChI InChI=1S/C32H50O5/c1-19(2)20-11-16-31(26(34)36-7)17-18-32(27(35)37-8)21(25(20)31)9-10-23-29(5)14-13-24(33)28(3,4)22(29)12-15-30(23,32)6/h20-25,33H,1,9-18H2,2-8H3
InChIKey CUWLUVLGDXWEJV-UHFFFAOYSA-N
Molecular Weight 514.747 g/mol
SMILES OC1CCC2(C(C1(C)C)CCC1(C2CCC2C1(CCC1(C2C(C(C)=C)CC1)C(OC)=O)C(OC)=O)C)C
SPLASH splash10-0fhi-0920000000-eecc97f87baa846138b9
Source of Spectrum W5-1989-64980-556
Wiley ID 1401207