[3,4,5-triacetyloxy-6-[4-[(11-acetyloxy-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]chrysen-3a-yl)methoxy]-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[4-[(11-acetyloxy-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]chrysen-3a-yl)methoxy]-2-(hydroxymethyl)-5,6-bis(oxidanyl)oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[4-[(11-acetoxy-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]chrysen-3a-yl)methoxy]-5,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[4-[[11-acetyloxy-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]chrysen-3a-yl]methoxy]-5,6-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[4-[(11-acetyloxy-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]chrysen-3a-yl)methoxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[4-[(11-acetoxy-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]chrysen-3a-yl)methoxy]-5,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C52H80O17 MolecularWeight: 977.1814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CCC5(C)C)OC(=O)C)C)C)COC6C(C(OC(C6OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O)O

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CCC5(C)C)OC(=O)C)C)C)COC6C(C(OC(C6OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O)O

InChI

InChI=1S/C52H80O17/c1-26(2)32-15-20-52(22-21-49(10)33(39(32)52)13-14-37-50(49,11)19-16-36-48(8,9)18-17-38(51(36,37)12)63-28(4)55)25-62-43-40(59)46(60)67-34(23-53)41(43)69-47-45(66-31(7)58)44(65-30(6)57)42(64-29(5)56)35(68-47)24-61-27(3)54/h32-47,53,59-60H,1,13-25H2,2-12H3