3-[(9-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]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate tetraethanoate

Systemtic Name: 3-[(9-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]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate tetraethanoate Openeye Name: 3-[(9-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]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate tetraacetate CAS Name: 3-[[9-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]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate tetraacetate IUPAC Name: 3-[(9-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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate tetraacetate Traditional Name: 3-[(9-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]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate tetraacetate Formula: C46H73O16-5 MolecularWeight: 882.06222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)COC6C(C(C(OC6[O-])CO)O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)COC6C(C(C(OC6[O-])CO)O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C38H61O8.4C2H4O2/c1-21(2)23-11-16-38(20-44-32-31(42)30(41)25(19-39)46-33(32)43)18-17-36(7)24(29(23)38)9-10-27-35(6)14-13-28(45-22(3)40)34(4,5)26(35)12-15-37(27,36)8;4*1-2(3)4/h23-33,39,41-42H,1,9-20H2,2-8H3;4*1H3,(H,3,4)/q-1;;;;/p-4