4-[[3a-(hydroxymethyl)-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-9-yl]oxy]-6-methyl-5-oxidanyl-oxan-2-olate

Systemtic Name: 4-[[3a-(hydroxymethyl)-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-9-yl]oxy]-6-methyl-5-oxidanyl-oxan-2-olate Openeye Name: 4-[[3a-(hydroxymethyl)-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-9-yl]oxy]-5-hydroxy-6-methyl-tetrahydropyran-2-olate CAS Name: 4-[[3a-(hydroxymethyl)-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-9-yl]oxy]-5-hydroxy-6-methyl-2-oxanolate IUPAC Name: 4-[[3a-(hydroxymethyl)-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-9-yl]oxy]-5-hydroxy-6-methyloxan-2-olate Traditional Name: 5-hydroxy-4-[(1-isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-methylol-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl)oxy]-6-methyl-tetrahydropyran-2-olate Formula: C36H59O5- MolecularWeight: 571.85066

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)[O-])OC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)CO)C(=C)C)C)O

Isomeric SMILES

CC1C(C(CC(O1)[O-])OC2CCC3(C4CCC5C6C(CCC6(CCC5(C4(CCC3C2(C)C)C)C)CO)C(=C)C)C)O

InChI

InChI=1S/C36H59O5/c1-21(2)23-11-16-36(20-37)18-17-34(7)24(30(23)36)9-10-27-33(6)14-13-28(32(4,5)26(33)12-15-35(27,34)8)41-25-19-29(38)40-22(3)31(25)39/h22-31,37,39H,1,9-20H2,2-8H3/q-1