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butyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethylocta-2,6-dienoyl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxane-2-carboxylate

Systemtic Name:	butyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethylocta-2,6-dienoyl]oxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-7,8-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxane-2-carboxylate
Openeye Name:	butyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate
CAS Name:	(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethyl-1-oxoocta-2,6-dienoxy]-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methyl-1-oxobutoxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-4-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid butyl ester
IUPAC Name:	butyl (2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
Traditional Name:	(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14bR)-10-[(2Z)-2,7-dimethylocta-2,6-dienoyl]oxy-7,8-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-(2-methylbutanoyloxy)-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid butyl ester
Formula:	C₆₆H₁₀₆O₂₃
MolecularWeight:	1267.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(C(C(C6(C5CC(C(C6OC(=O)C(C)CC)OC(=O)C(=CCCC=C(C)C)C)(C)C)CO)O)O)C)C)C)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(O8)CO)O)O

Isomeric SMILES

CCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]4(C3CC=C5[C@]4([C@H]([C@H]([C@@]6([C@H]5CC([C@H]([C@@H]6OC(=O)C(C)CC)OC(=O)/C(=C\CCC=C(C)C)/C)(C)C)CO)O)O)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@H]([C@@H]([C@H](O8)CO)O)O

InChI

InChI=1S/C66H106O23/c1-14-16-27-81-57(80)50-48(85-58-45(73)43(71)38(30-68)83-58)47(75)49(86-59-46(74)44(72)42(70)37(29-67)82-59)60(87-50)84-41-24-25-63(11)39(62(41,9)10)23-26-64(12)40(63)22-21-35-36-28-61(7,8)53(88-56(79)34(6)20-18-17-19-32(3)4)54(89-55(78)33(5)15-2)66(36,31-69)52(77)51(76)65(35,64)13/h19-21,33,36-54,58-60,67-77H,14-18,22-31H2,1-13H3/b34-20-/t33?,36-,37+,38+,39?,40?,41-,42+,43+,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,58-,59-,60+,63-,64+,65-,66-/m0/s1

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