methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-7-oxidanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Systemtic Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-7-oxidanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Openeye Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-8-benzyloxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Traditional Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aR)-7-[[(2R,4aR,6S,7R,8R,8aR)-8-benzoxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester Formula: C71H88O14 MolecularWeight: 1165.45002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OCC7=CC=CC=C7)OC8C(C(C9C(O8)COC(O9)C1=CC=CC=C1)OCC1=CC=CC=C1)O)C)C(=O)C=C1C3(CCC2(C1CC(CC2)(C)C(=O)OC)C)C)C)C

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CC=C8)OCC9=CC=CC=C9)O[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C1=CC=CC=C1)OCC1=CC=CC=C1)O)C)(C)C(=O)OC

InChI

InChI=1S/C71H88O14/c1-66(2)52-29-32-71(7)60(49(72)37-47-48-38-68(4,65(74)75-8)34-33-67(48,3)35-36-70(47,71)6)69(52,5)31-30-53(66)82-64-59(58(77-40-44-23-15-10-16-24-44)56-51(81-64)42-79-62(84-56)46-27-19-12-20-28-46)85-63-54(73)57(76-39-43-21-13-9-14-22-43)55-50(80-63)41-78-61(83-55)45-25-17-11-18-26-45/h9-28,37,48,50-64,73H,29-36,38-42H2,1-8H3/t48-,50+,51+,52-,53-,54+,55+,56+,57+,58-,59+,60+,61+,62+,63-,64-,67+,68-,69-,70+,71+/m0/s1