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

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

Systemtic Name:1-[(3S,10R,12R,13S,14S,17S)-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-12,14-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Openeye Name:1-[(3S,10R,12R,13S,14S,17S)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CAS Name:1-[(3S,10R,12R,13S,14S,17S)-3-[[5-[[5-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name:1-[(3S,10R,12R,13S,14S,17S)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Traditional Name:1-[(3S,10R,12R,13S,14S,17S)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Formula: C42H68O14
MolecularWeight: 796.98092
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6CC=C5C4)O)C(=O)C)C)O)C)C)C)O)OC)O


Isomeric SMILES

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)O[C@H]4CC[C@@]5(C6C[C@H]([C@@]7([C@H](CC[C@@]7(C6CC=C5C4)O)C(=O)C)C)O)C)C)C)O)OC)O


InChI

InChI=1S/C42H68O14/c1-20(43)26-13-15-42(47)27-11-10-24-16-25(12-14-40(24,5)28(27)17-31(44)41(26,42)6)54-32-18-29(48-7)36(22(3)51-32)55-33-19-30(49-8)37(23(4)52-33)56-39-35(46)38(50-9)34(45)21(2)53-39/h10,21-23,25-39,44-47H,11-19H2,1-9H3/t21?,22?,23?,25-,26+,27?,28?,29?,30?,31+,32?,33?,34?,35?,36?,37?,38?,39?,40-,41-,42-/m0/s1


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