(2S,3R,4S,5S,6R)-2-[(Z,2S)-2-[(3S,5R,7S,8R,10S,13R,14R,17S)-4,4,8,10,13,14-hexamethyl-3,7-bis(oxidanyl)-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-7-oxidanyl-hept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S,6R)-2-[(Z,2S)-2-[(3S,5R,7S,8R,10S,13R,14R,17S)-4,4,8,10,13,14-hexamethyl-3,7-bis(oxidanyl)-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-7-oxidanyl-hept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4S,5S,6R)-2-[(Z,1S)-1-[(3S,5R,7S,8R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,13,14-hexamethyl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-1,5-dimethyl-hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5S,6R)-2-[(Z,2S)-2-[(3S,5R,7S,8R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,13,14-hexamethyl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S,6R)-2-[(Z,2S)-2-[(3S,5R,7S,8R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,13,14-hexamethyl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4S,5S,6R)-2-[(Z,1S)-1-[(3S,5R,7S,8R,10S,13R,14R,17S)-3,7-dihydroxy-4,4,8,10,13,14-hexamethyl-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-1,5-dimethyl-hex-4-enoxy]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C37H64O9 MolecularWeight: 652.89866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C1CCC2(C1(CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)CO

Isomeric SMILES

C/C(=C/CC[C@@](C)([C@H]1CC[C@@]2([C@@]1(CCC3[C@]2([C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)/CO

InChI

InChI=1S/C37H64O9/c1-21(19-38)10-9-14-35(6,46-31-30(44)29(43)28(42)22(20-39)45-31)24-12-17-36(7)34(24,5)16-11-23-33(4)15-13-26(40)32(2,3)25(33)18-27(41)37(23,36)8/h10,22-31,38-44H,9,11-20H2,1-8H3/b21-10-/t22-,23?,24+,25+,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-,37+/m1/s1