3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-4-methoxy-6-[[(3R,6S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Systemtic Name: 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-4-methoxy-6-[[(3R,6S)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one CAS Name: 3-[(3S,5S,10R,13R,14S,17R)-3-[[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-3-oxanyl]oxymethyl]-3,5-dihydroxy-4-methoxy-2-oxanyl]oxy]-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5R)-6-[[(3R,6S)-4,6-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]-3,5-dihydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Formula: C36H56O13 MolecularWeight: 696.82204

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)O)O)OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)C)O)OC)O

Isomeric SMILES

CC1[C@@H](C(C[C@H](O1)O)O)OCC2[C@H](C(C([C@@H](O2)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C)O)OC)O

InChI

InChI=1S/C36H56O13/c1-18-30(24(37)14-27(39)47-18)46-17-25-28(40)31(44-4)29(41)32(49-25)48-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-16-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18?,20-,21+,22?,23?,24?,25?,27-,28+,29?,30-,31?,32+,33+,34+,35-,36-/m0/s1