[(1s,2s,3s)-2,5-dihydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-1,3-dimethyl-pentyl]-hexahydroxy-[(1s,2s,3s)-2-hydroxy-5-[(2s,4r,6s)-4-methoxy-6-methyl-tetrahydropyran-2-yl]-1,3-dimethyl-pentyl]-dimethoxy-hexamethyl-[?]dione

Structural Information

Molecular Formula

C₇₈H₁₃₂O₂₁

SMILES

C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2C([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(/C=C/C(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@H](C/C=C(/C=C/C(=O)O2)\C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@@H](C)CC([C@H]5C[C@@H](C[C@@H](O5)C)OC)O)O)\C)O)OC)C)O)O)C)O)OC

InChI

InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25+,32-26+,44-23+,45-24+/t46-,47-,48-,49-,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69?,70-,71-,72+,75-,76-,77-,78-/m0/s1

InChIKey

XUQRQRKUGBIVEH-SUVUGZFZSA-N

Compound name

(1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,35R,37S,38S,39S,41S)-11-[(2S,3S,4S)-3,6-dihydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,13,15,25,35,37-hexahydroxy-33-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione

Related CIDs

• CID 15957506