[(e,32r,33s)-33-[(2r,3r,4r)-6-[(1r,5r,6r)-6-[(2r,4r,5r,6r)-6-[(1s,2s,3e,7e,9e,11e,15e)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-1,2,11,15,20,21,24,25,27,32,33-undecahydroxy-18,23,30-trimethyl-13-oxotritriacont-30-en-7-yl] hydrogen sulfate

Structural Information

Molecular Formula

C₇₁H₁₂₂O₂₇S

SMILES

CC(CCC(CC(=O)CC(CCCC(CCCCC(CO)O)OS(=O)(=O)O)O)O)CC(C(CC(C)C(C(CC(CC/C(=C/[C@H]([C@@H]([C@H]1[C@@H]([C@@H](CC(O1)[C@@H](CCC(=C)[C@H]([C@H]([C@H]2C[C@H]([C@H]([C@@H](O2)[C@H]([C@H](/C=C/CC/C=C/C=C/C=C/CC/C=C/C=C)O)O)O)O)O)O)O)O)O)O)O)/C)O)O)O)O)O

InChI

InChI=1S/C71H122O27S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-54(79)65(88)70-68(91)60(85)41-62(97-70)69(92)64(87)45(4)30-33-53(78)61-40-59(84)67(90)71(96-61)66(89)57(82)35-44(3)29-32-49(75)39-58(83)63(86)46(5)36-56(81)55(80)34-43(2)28-31-48(74)38-51(77)37-47(73)24-22-26-52(98-99(93,94)95)25-21-20-23-50(76)42-72/h6-8,11-16,19,27,35,43,46-50,52-76,78-92H,1,4,9-10,17-18,20-26,28-34,36-42H2,2-3,5H3,(H,93,94,95)/b8-7+,12-11+,14-13+,16-15+,27-19+,44-35+/t43?,46?,47?,48?,49?,50?,52?,53-,54+,55?,56?,57-,58?,59-,60-,61?,62-,63?,64-,65+,66+,67-,68-,69+,70+,71+/m1/s1

InChIKey

JHIHUBYYFIMGRB-SSRFNWAQSA-N

Compound name

[(E,32R,33S)-33-[(2R,3R,4R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2S,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-1,2,11,15,20,21,24,25,27,32,33-undecahydroxy-18,23,30-trimethyl-13-oxotritriacont-30-en-7-yl] hydrogen sulfate

Related CIDs

• CID 129900620