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-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-2-methyl-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-4-methoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-2-methyl-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-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-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-methoxy-2-methyl-3-oxanyl]oxy]-4-methoxy-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-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-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-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3,5-diol Formula: C63H104O23 MolecularWeight: 1229.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)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(CC3OC)OC4C(OC(CC4OC)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/C63H104O23/c1-30-51(65)58(72-14)52(66)59(78-30)83-55-33(4)76-49(26-44(55)70-12)81-53-31(2)74-48(24-42(53)68-10)80-54-32(3)75-50(25-43(54)69-11)82-56-35(6)84-62(28-46(56)71-13)29-73-45-27-47(77-34(5)57(45)85-86-62)79-36(7)63(67)22-19-41-39-16-15-37-23-38(64)17-20-60(37,8)40(39)18-21-61(41,63)9/h15,30-36,38-59,64-67H,16-29H2,1-14H3