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1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-3-[(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-8,12,14,15-tetrakis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name:	1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-3-[(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-8,12,14,15-tetrakis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Openeye Name:	1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]
CAS Name:	1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[[(2R,4R,5S,6R)-4-hydroxy-5-[[(2S,4R,5R,6R)-4-methoxy-5-[[(2S,4R,5R,6R)-4-methoxy-5-[[(2S,4S,5R,6R)-4-methoxy-5-[[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name:	1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Traditional Name:	1-[(3S,8S,9R,10R,12R,13S,14S,15R,17R)-8,12,14,15-tetrahydroxy-3-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenan
Formula:	C₆₁H₁₀₀O₂₆
MolecularWeight:	1249.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3(C4CC(C5(C(CC(C5(C4(CC=C3C2)O)O)O)C(=O)C)C)O)C)O)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)OC)OC)OC)OC

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@@H](C[C@H]([C@@]5([C@@]4(CC=C3C2)O)O)O)C(=O)C)C)O)C)O)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)OC)OC)OC)OC

InChI

InChI=1S/C61H100O26/c1-26(63)34-18-43(66)61(71)59(34,8)42(65)24-41-58(7)15-14-33(17-32(58)13-16-60(41,61)70)81-44-19-35(64)52(27(2)76-44)83-45-20-36(72-9)53(28(3)77-45)84-46-21-37(73-10)54(29(4)78-46)85-47-22-38(74-11)55(30(5)79-47)86-48-23-39(75-12)56(31(6)80-48)87-57-51(69)50(68)49(67)40(25-62)82-57/h13,27-31,33-57,62,64-71H,14-25H2,1-12H3/t27-,28-,29-,30-,31-,33+,34+,35-,36-,37-,38+,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61-/m1/s1

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