Candletoxin A
Molecular Formula:
C35H44O9
InChI: InChI=1/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20u,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1
InChIKey: InChIKey=RWBRLONUEAWHRE-UBMWSEAFBN
SMILES: CCC(C)C(=O)OCC1(C2C1(CC(C3(C2C=C(CC4(C3C=C(C4=O)C)O)COC(=O)C)O)C)OC(=O)CC5=CC=CC=C5)C
Names:
Candletoxin A
C09068
64854-99-5
Registries:
PubChem CID 442008
PubChem ID 11260
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