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[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9,10-bis(oxidanylidene)-8a,10a-dihydroanthracene-2-carboxylate

Systemtic Name:	[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9,10-bis(oxidanylidene)-8a,10a-dihydroanthracene-2-carboxylate
Openeye Name:	[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-4-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-1-methyl-4-oxo-butyl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9,10-dioxo-8a,10a-dihydroanthracene-2-carboxylate
CAS Name:	9,10-dioxo-8a,10a-dihydroanthracene-2-carboxylic acid [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-5-oxopentan-2-yl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC Name:	[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyphenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]-5-oxopentan-2-yl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9,10-dioxo-8a,10a-dihydroanthracene-2-carboxylate
Traditional Name:	9,10-diketo-8a,10a-dihydroanthracene-2-carboxylic acid [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-4-[4-[15-[4-[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyphenyl]-21,22-dihydroporphin-5-yl]phenoxy]-4-keto-1-methyl-butyl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Formula:	C₉₅H₁₀₆N₄O₁₁
MolecularWeight:	1479.87834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC(=O)CCC(C)C8CCC9C8(C(CC1C9CCC2C1(CCC(C2)OC(=O)C1=CC2=C(C=C1)C(=O)C1C=CC=CC1C2=O)C)O)C)N4)C1CCC2C1(C(CC1C2CCC2C1(CCC(C2)O)C)O)C

Isomeric SMILES

C[C@H](CCC(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OC(=O)CC[C@@H](C)[C@H]8CC[C@@H]9[C@@]8([C@H](C[C@H]1[C@H]9CC[C@H]2[C@@]1(CC[C@H](C2)OC(=O)C1=CC2=C(C=C1)C(=O)C1C=CC=CC1C2=O)C)O)C)N4)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]1[C@H]2CC[C@H]2[C@@]1(CC[C@H](C2)O)C)O)C

InChI

InChI=1S/C95H106N4O11/c1-52(73-31-33-75-70-29-18-57-46-63(100)41-43-92(57,3)77(70)50-83(101)94(73,75)5)11-39-85(103)108-64-24-13-54(14-25-64)87-79-35-20-59(96-79)48-61-22-37-81(98-61)88(82-38-23-62(99-82)49-60-21-36-80(87)97-60)55-15-26-65(27-16-55)109-86(104)40-12-53(2)74-32-34-76-71-30-19-58-47-66(42-44-93(58,4)78(71)51-84(102)95(74,76)6)110-91(107)56-17-28-69-72(45-56)90(106)68-10-8-7-9-67(68)89(69)105/h7-10,13-17,20-28,35-38,45,48-49,52-53,57-58,63,66-68,70-71,73-78,83-84,98-102H,11-12,18-19,29-34,39-44,46-47,50-51H2,1-6H3/t52-,53-,57-,58-,63-,66-,67?,68?,70+,71+,73-,74-,75+,76+,77+,78+,83+,84+,92+,93+,94-,95-/m1/s1

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