2-[6-[6-[6-[7-[1-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4'-methoxy-2',9-dimethyl-spiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-methyl-oxane-3,5-diol

Systemtic Name: 2-[6-[6-[6-[7-[1-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-4'-methoxy-2',9-dimethyl-spiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-methyl-oxane-3,5-diol Openeye Name: 2-[6-[6-[6-[7-[1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4'-methoxy-2',9-dimethyl-spiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-tetrahydropyran]-3'-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3,5-diol CAS Name: 2-[[6-[[6-[[6-[[7-[1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4'-methoxy-2',9-dimethyl-3'-spiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepin-3,6'-oxane]yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-methoxy-2-methyl-3-oxanyl]oxy]-4-methoxy-6-methyloxane-3,5-diol IUPAC Name: 2-[6-[6-[6-[7-[1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4'-methoxy-2',9-dimethylspiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepine-3,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol Traditional Name: 2-[6-[6-[6-[7-[1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-4'-methoxy-2',9-dimethyl-spiro[4,5a,6,7,9,9a-hexahydropyrano[3,4-c][1,2,5]trioxepin-3,6'-tetrahydropyran]-3'-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3,5-diol Formula: C61H100O23 MolecularWeight: 1201.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3O)OC4C(OC(CC4O)OC5C(OC6(CC5OC)COC7CC(OC(C7OO6)C)OC(C)C8(CCC9C8(CCC1C9CC=C2C1(CCC(C2)O)C)C)O)C)C)C)C)O)OC)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3O)OC4C(OC(CC4O)OC5C(OC6(CC5OC)COC7CC(OC(C7OO6)C)OC(C)C8(CCC9C8(CCC1C9CC=C2C1(CCC(C2)O)C)C)O)C)C)C)C)O)OC)O

InChI

InChI=1S/C61H100O23/c1-28-49(65)56(70-12)50(66)57(76-28)81-53-31(4)74-48(24-42(53)68-10)79-52-30(3)72-45(22-40(52)63)78-51-29(2)73-46(23-41(51)64)80-54-33(6)82-60(26-44(54)69-11)27-71-43-25-47(75-32(5)55(43)83-84-60)77-34(7)61(67)20-17-39-37-14-13-35-21-36(62)15-18-58(35,8)38(37)16-19-59(39,61)9/h13,28-34,36-57,62-67H,14-27H2,1-12H3