input word = C00023212

Metabolite InformationStructural formula
Name [2S-[2alpha(Z),4aalpha,6alpha,8beta(S*),8abeta]]-8a-[(Acetyloxy)methyl]decahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4-dimethyl-7-methylene-2-naphthalenyl ester 2-methyl-2-butenoic acid
Formula C27H42O6
Mw 462.29813907
CAS RN 125234-00-6
C_ID C00023212 ,
InChIKey NTBUNIPLWOGODD-GDDXNQEWNA-N
InChICode InChI=1S/C27H42O6/c1-9-17(3)24(30)33-20-14-25(6,7)23-13-22(29)18(4)21(11-12-26(8,31)10-2)27(23,15-20)16-32-19(5)28/h9-10,20-23,29,31H,2,4,11-16H2,1,3,5-8H3/b17-9-/t20-,21-,22+,23-,26-,27+/m0/s1
SMILES [C@@H]1(CC([C@H]2[C@@](C1)([C@H](C(=C)[C@@H](C2)O)CC[C@](C)(C=C)O)COC(=O)C)(C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWaitzia acuminata Ref.
zoom in