input word = C00013155

Metabolite InformationStructural formula
Name [3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one
Formula C28H34O11
Mw 546.21011193
CAS RN 107602-76-6
C_ID C00013155 ,
InChIKey AAPNZSYMEKIVGT-UHFFFAOYNA-N
InChICode InChI=1S/C28H34O11/c1-15(29)35-14-27-19(38-24(33)18-10-8-7-9-11-18)12-13-26(6,34)28(27)22(36-16(2)30)20(25(4,5)39-28)21(32)23(27)37-17(3)31/h7-11,19-20,22-23,34H,12-14H2,1-6H3/t19-,20-,22+,23+,26+,27-,28+/m0/s1
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(=O)C2OC(C)=O)C3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeRzedowskia tolantonguensis Ref.
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