input word = C00013172

Metabolite InformationStructural formula
Name Acetyleumaitenol
[3R-(3alpha,4alpha,5beta,8aalpha,6alpha,9beta,9aalpha,10R*)]-4,6-bis(Acetyloxy)octahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5,10-diyl ester 3-furancarboxylic acid
Formula C29H34O12
Mw 574.20502655
CAS RN 112592-79-7
C_ID C00013172 ,
InChIKey DYAWIECXRLDDTM-UHFFFAOYNA-N
InChICode InChI=1S/C29H34O12/c1-15(30)37-19-7-10-27(5,34)29-22(39-24(32)17-8-11-35-13-17)20(26(3,4)41-29)21(38-16(2)31)23(28(19,29)6)40-25(33)18-9-12-36-14-18/h8-9,11-14,19-23,34H,7,10H2,1-6H3/t19-,20+,21-,22-,23+,27+,28-,29-/m0/s1
SMILES [C@H]12[C@@H]([C@H]([C@]3([C@]([C@](CC[C@@H]3OC(=O)C)(C)O)(OC1(C)C)[C@H]2OC(=O)c1cocc1)C)OC(=O)c1cocc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus boaria Ref.
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OrganismMaytenus boaria
ReferenceBacerra,Phytochem.,26,(1987),3073