Tingitanol acetate
Molecular Formula:
C27H40O7
InChI: InChI=1/C27H40O7/c1-10-17(6)24(29)33-20-12-16(5)13-21(34-25(30)18(7)11-2)26(9)22(32-19(8)28)14-27(31,15(3)4)23(20)26/h10-11,13,15,20-23,31H,12,14H2,1-9H3/b17-10-,18-11-/t20-,21+,22+,23+,26-,27+/m0/s1
InChIKey: InChIKey=QWOSCAXIEHBRPK-NPXNNBAGBV
SMILES: CC=C(C)C(=O)OC1CC(=CC(C2(C1C(CC2OC(=O)C)(C(C)C)O)C)OC(=O)C(=CC)C)C
Names:
NSC606958
Tingitanol acetate
[(1R,3R,3aR,4R,8S,8aR)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
Registries:
PubChem CID 5459044
PubChem ID 8141885
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