[5a,5b,8,8,11a-pentamethyl-9-[2-methyl-3,4,6-tris(oxidanyl)oxan-4-yl]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate

Systemtic Name: [5a,5b,8,8,11a-pentamethyl-9-[2-methyl-3,4,6-tris(oxidanyl)oxan-4-yl]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate Openeye Name: [1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-(3,4,6-trihydroxy-2-methyl-tetrahydropyran-4-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate CAS Name: acetic acid [5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-9-(3,4,6-trihydroxy-2-methyl-4-oxanyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester IUPAC Name: [5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-(3,4,6-trihydroxy-2-methyloxan-4-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate Traditional Name: acetic acid [1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-(3,4,6-trihydroxy-2-methyl-tetrahydropyran-4-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester Formula: C38H62O6 MolecularWeight: 614.89528

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)O)(C2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)COC(=O)C)C(=C)C)C)O)O

Isomeric SMILES

CC1C(C(CC(O1)O)(C2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)COC(=O)C)C(=C)C)C)O)O

InChI

InChI=1S/C38H62O6/c1-22(2)25-12-17-37(21-43-24(4)39)19-18-35(8)26(31(25)37)10-11-29-34(7)15-13-28(33(5,6)27(34)14-16-36(29,35)9)38(42)20-30(40)44-23(3)32(38)41/h23,25-32,40-42H,1,10-21H2,2-9H3