5a,5b,8,8,11a-pentamethyl-9-[6-methyl-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-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-carboxylic acid

Systemtic Name: 5a,5b,8,8,11a-pentamethyl-9-[6-methyl-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-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-carboxylic acid Openeye Name: 9-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-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 CAS Name: 9-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-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 IUPAC Name: 9-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-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-carboxylic acid Traditional Name: 9-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-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 Formula: C41H66O11 MolecularWeight: 734.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)C(=O)O)C(=C)C)C)OC7C(C(C(CO7)O)O)O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)C(=O)O)C(=C)C)C)OC7C(C(C(CO7)O)O)O)O)O

InChI

InChI=1S/C41H66O11/c1-20(2)22-11-16-41(36(47)48)18-17-39(7)23(28(22)41)9-10-26-38(6)14-13-27(37(4,5)25(38)12-15-40(26,39)8)51-35-33(31(45)29(43)21(3)50-35)52-34-32(46)30(44)24(42)19-49-34/h21-35,42-46H,1,9-19H2,2-8H3,(H,47,48)