Cascarillin
Molecular Formula:
C22H32O7
InChI: InChI=1/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=ZOWKQQIGQBVKSV-BZLLESMPBX
SMILES: CC1C(CC2(C(C1(CC(C3=COC=C3)O)C=O)CCC(C2(C)O)O)C)OC(=O)C
Names:
Cascarillin
C09071
10118-56-6
[(2R,3R,4R,4aR,7R,8S,8aR)-4-formyl-4-[(2R)-2-(3-furyl)-2-hydroxy-ethyl]-7,8-dihydroxy-3,8,8a-trimethyl-2,3,4a,5,6,7-hexahydro-1H-naphthalen-2-yl] acetate
Registries:
PubChem CID 442011
PubChem ID 11263
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