Current position:Home >Product >

(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxycarbonyl-4-methanoyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidany

Systemtic Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxycarbonyl-4-methanoyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidany
Openeye Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-4,5-diacetoxy-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R
CAS Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[[(2S,3R,4S,5R,6R)-5-[[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-[[(2S,3R,4S,5R,6S)-5-[[(2S,3R,4S,5R)-3,5-dihydroxy-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy-oxomethyl]-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl
IUPAC Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-3-hydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ox
Traditional Name:	(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-4,5-diacetoxy-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R
Formula:	C₇₉H₁₂₂O₄₁
MolecularWeight:	1727.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C=O)OC8C(C(C(C(O8)C(=O)O)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)C)OC1C(C(C(C(O1)C)OC(=O)C)OC(=O)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CCC7[C@@]6(CC[C@@H]([C@@]7(C)C=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)C)OC(=O)C)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O

InChI

InChI=1S/C79H122O41/c1-28-55(113-67-53(98)58(37(86)26-105-67)115-65-47(92)42(87)35(84)24-103-65)46(91)50(95)68(106-28)118-62-51(96)56(114-70-54(99)60(110-32(5)83)57(30(3)107-70)109-31(4)82)29(2)108-71(62)120-73(102)79-20-18-74(6,7)22-34(79)33-12-13-40-75(8)16-15-41(76(9,27-81)39(75)14-17-78(40,11)77(33,10)19-21-79)112-72-63(119-69-49(94)45(90)44(89)38(23-80)111-69)59(52(97)61(117-72)64(100)101)116-66-48(93)43(88)36(85)25-104-66/h12,27-30,34-63,65-72,80,84-99H,13-26H2,1-11H3,(H,100,101)/t28-,29+,30+,34-,35+,36+,37+,38+,39?,40+,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+,55-,56-,57+,58-,59-,60+,61-,62+,63+,65-,66-,67-,68-,69-,70-,71-,72+,75-,76-,77+,78+,79-/m0/s1

Other Product