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4-[10a,12a-dimethyl-5,8-bis(oxidanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl]pentanoic acid

4-[10a,12a-dimethyl-5,8-bis(oxidanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl]pentanoic acid

Systemtic Name:4-[10a,12a-dimethyl-5,8-bis(oxidanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl]pentanoic acid
Openeye Name:4-(5,8-dihydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)pentanoic acid
CAS Name:4-(5,8-dihydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)pentanoic acid
IUPAC Name:4-(5,8-dihydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)pentanoic acid
Traditional Name:4-(5,8-dihydroxy-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl)valeric acid
Formula: C25H42O4
MolecularWeight: 406.59858
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C


Isomeric SMILES

CC(CCC(=O)O)C1CCCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C


InChI

InChI=1S/C25H42O4/c1-15(7-8-22(28)29)18-5-4-6-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,4-14H2,1-3H3,(H,28,29)


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Name: 4-[10a,12a-dimethyl-5,8-bis(oxidanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysen-1-yl]pentanoic acid

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