Representations & DB's id
|
| |
| ChEBI: |
None
|
| ChEMBL: |
CHEMBL509773
|
| PubChem: |
10769688
|
|
IUPAC:
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,16-diacetyloxy-5,8,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
|
|
Standard InChI:
|
InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(41-27(37)18-10-8-7-9-11-18)29(6)20(35)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31-/m0/s1
|
|
Standard InChI Key:
|
IEMBQVLDTQOXFV-LPRGFTSCSA-N
|
|
SMILES:
|
CC(=O)O[C@H]1[C@H]2[C@@](C)([C@@H](O)C[C@@H]3[C@]2(CO3)OC(=O)C)[C@H]([C@@H](C2=C([C@H](C[C@@]12C(O)(C)C)O)C)O)OC(=O)c1ccccc1 |
