Gambieric acid c & gambieric acid d

Structural Information

Molecular Formula

C₆₆H₁₀₂O₁₉

SMILES

C[C@H]1/C=C\C[C@@H]2[C@H](CC[C@@H]3[C@@](O2)(C[C@@]4([C@@H](O3)C[C@@H]5[C@@H](O4)CC[C@]([C@@H](O5)CC(CC6CC(C(O6)C(C)CC(=O)O)C)O)(C)O)C)C)O[C@H]7[C@H]1O[C@]8([C@H](C7)O[C@@H]9C[C@]1([C@@H](CC(=C)[C@H](O1)C/C(=C/C(C)COC(=O)CC(C)CC(=O)O)/C)O[C@H]9[C@@H]8O)C)C

InChI

InChI=1S/C66H102O19/c1-34(20-36(3)32-75-57(72)23-35(2)22-55(68)69)21-46-38(5)25-52-63(9,84-46)31-49-60(81-52)61(73)66(12)54(79-49)30-48-59(85-66)37(4)14-13-15-44-43(77-48)16-17-50-64(10,82-44)33-65(11)53(80-50)29-47-45(83-65)18-19-62(8,74)51(78-47)28-41(67)27-42-24-39(6)58(76-42)40(7)26-56(70)71/h13-14,20,35-37,39-54,58-61,67,73-74H,5,15-19,21-33H2,1-4,6-12H3,(H,68,69)(H,70,71)/b14-13-,34-20+/t35?,36?,37-,39?,40?,41?,42?,43-,44+,45-,46+,47+,48+,49+,50+,51-,52+,53-,54-,58?,59-,60+,61-,62-,63-,64-,65+,66-/m0/s1

InChIKey

FJLHAPWPXWDEEV-SVUGVTBQSA-N

Compound name

5-[(E)-5-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-35-[3-[5-(1-carboxypropan-2-yl)-4-methyloxolan-2-yl]-2-hydroxypropyl]-17,34-dihydroxy-9,18,21,27,29,34-hexamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-11-yl]-2,4-dimethylpent-3-enoxy]-3-methyl-5-oxopentanoic acid

Related CIDs

• CID 6475575