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(2S,3R,4S,6aR,6bR,8aS,14bR)-6b-(hydroxymethyl)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-2-yl]oxy-6-methyl-3-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,11,11,14b-pentamethyl-2,3-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Systemtic Name:	(2S,3R,4S,6aR,6bR,8aS,14bR)-6b-(hydroxymethyl)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4-(hydroxymethyl)-4,5-bis(oxidanyl)oxolan-2-yl]oxy-6-methyl-3-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxycarbonyl-4,6a,11,11,14b-pentamethyl-2,3-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Openeye Name:	(2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4,5-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
CAS Name:	(2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[[(2S,3R,4S,5R,6R)-3-[[(2S,3R,4S,5S,6S)-4-[[(2R,4R,5R)-4,5-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]-3-hydroxy-6-methyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy-oxomethyl]-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
IUPAC Name:	(2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4,5-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Traditional Name:	(2S,3R,4S,6aR,6bR,8aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2R,4R,5R)-4,5-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-6b-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Formula:	C₅₂H₈₂O₂₃
MolecularWeight:	1075.19368

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(=O)C23CCC(CC2C4=CCC5C(C4(CC3)CO)(CCC6C5(CC(C(C6(C)C(=O)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)C)OC8C(C(C(CO8)O)O)O)OC9CC(C(O9)O)(CO)O)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@@]23CC[C@@]4(C(=CCC5[C@]4(CCC6[C@@]5(C[C@@H]([C@@H]([C@@]6(C)C(=O)O)O)O)C)C)C2CC(CC3)(C)C)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9C[C@]([C@@H](O9)O)(CO)O)O)O)O

InChI

InChI=1S/C52H82O23/c1-22-31(57)33(59)38(74-41-35(61)37(71-30-18-52(67,21-54)45(66)72-30)36(23(2)70-41)73-40-34(60)32(58)27(56)19-68-40)42(69-22)75-44(65)50-13-12-46(3,4)16-25(50)24-8-9-28-47(5)17-26(55)39(62)49(7,43(63)64)29(47)10-11-48(28,6)51(24,20-53)15-14-50/h8,22-23,25-42,45,53-62,66-67H,9-21H2,1-7H3,(H,63,64)/t22-,23+,25?,26+,27-,28?,29?,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,41+,42+,45-,47-,48-,49+,50+,51+,52-/m1/s1

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