(2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-oxane

Systemtic Name: (2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-oxane Openeye Name: (2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran CAS Name: (2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)-2-oxanyl]oxy]oxane IUPAC Name: (2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane Traditional Name: (2R,3R,4S,5R,6R)-2-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trimethoxy-4,8a-bis(methoxymethyl)-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]-4,5-dimethoxy-6-(methoxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran Formula: C54H94O16 MolecularWeight: 999.31456

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1OC)OC)COC)OC)C)C)(C)COC)OC6C(C(C(C(O6)COC)OC)OC)OC7C(C(C(C(O7)COC)OC)OC)OC)C)C

Isomeric SMILES

C[C@]12CC[C@@H]([C@@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H]([C@@H]5OC)OC)(C)C)COC)OC)C)C)(C)COC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC)OC)OC)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)COC)OC)OC)OC

InChI

InChI=1S/C54H94O16/c1-49(2)25-32-31-19-20-36-50(3)23-22-37(51(4,29-57-9)35(50)21-24-52(36,5)53(31,6)26-38(59-11)54(32,30-58-10)46(66-18)45(49)65-17)69-48-44(42(63-15)40(61-13)34(68-48)28-56-8)70-47-43(64-16)41(62-14)39(60-12)33(67-47)27-55-7/h19,32-48H,20-30H2,1-18H3/t32-,33+,34+,35?,36+,37-,38+,39-,40+,41-,42-,43+,44+,45-,46-,47-,48-,50-,51-,52+,53+,54-/m0/s1