10-(hydroxymethyl)-13-methyl-3-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)spiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one

Systemtic Name: 10-(hydroxymethyl)-13-methyl-3-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)spiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one Openeye Name: 3-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-spiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one CAS Name: 3-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-6'-spiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]one IUPAC Name: 3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methylspiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one Traditional Name: 3-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-5,14-dihydroxy-13-methyl-10-methylol-spiro[1,2,3,4,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-2H-pyran]-6'-one Formula: C29H44O9 MolecularWeight: 536.65426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6(CCC5(C4CCC3(C2)O)O)COC(=O)C=C6)C)CO)O)O

Isomeric SMILES

CC1C(C(CC(O1)OC2CCC3(C4CCC5(C6(CCC5(C4CCC3(C2)O)O)COC(=O)C=C6)C)CO)O)O

InChI

InChI=1S/C29H44O9/c1-17-24(33)21(31)13-23(37-17)38-18-3-9-27(15-30)19-4-7-25(2)26(8-6-22(32)36-16-26)11-12-29(25,35)20(19)5-10-28(27,34)14-18/h6,8,17-21,23-24,30-31,33-35H,3-5,7,9-16H2,1-2H3