(1r,3s,5e,9s,11r,13s,14s,15s,17s,21r,23s,25e,27e,31s,32s,33r,35s,36s,37s,39s)-3,11,13,23,33,35-hexahydroxy-9,31-bis[(2s,3s,4s)-3-hydroxy-6-[(2s,4r,6s)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,37-dimethoxy-6,10,14,26,32,36-hexamethyl-8,30,43,44-tetraoxatricyclo[37.3.1.117,21]tetratetraconta-5,19,25,27,41-pentaene-7,29-dione

Structural Information

Molecular Formula

C₇₆H₁₃₀O₂₀

SMILES

C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](C/C=C(/C(=O)O[C@@H](C([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)\C)O)OC)C)O)O)C)O)OC

InChI

InChI=1S/C76H130O20/c1-43-23-28-55(77)35-57-19-17-21-59(93-57)39-70(90-16)50(8)66(80)42-68(82)52(10)75(54(12)73(85)45(3)27-31-62-38-64(88-14)34-48(6)92-62)96-76(86)46(4)25-29-56(78)36-58-20-18-22-60(94-58)40-69(89-15)49(7)65(79)41-67(81)51(9)74(95-71(83)32-24-43)53(11)72(84)44(2)26-30-61-37-63(87-13)33-47(5)91-61/h17-20,23-25,32,44-45,47-70,72-75,77-82,84-85H,21-22,26-31,33-42H2,1-16H3/b32-24+,43-23+,46-25+/t44-,45-,47-,48-,49-,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69-,70-,72-,73-,74-,75-/m0/s1

InChIKey

PBOKTYWXRURPFG-JRYLRBNOSA-N

Compound name

(1R,3S,5E,9S,11R,13S,14S,15S,17S,21R,23S,25E,27E,31S,32S,33R,35S,36S,37S,39S)-3,11,13,23,33,35-hexahydroxy-9,31-bis[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,37-dimethoxy-6,10,14,26,32,36-hexamethyl-8,30,43,44-tetraoxatricyclo[37.3.1.117,21]tetratetraconta-5,19,25,27,41-pentaene-7,29-dione

Related CIDs

• CID 15957507