input word = C00049343

Metabolite InformationStructural formula
Name 13-O-Acetyl-brevifoliol
13-alpha-O-Acetylbrevifoliol
Formula C33H42O10
Mw 598.27779756
CAS RN 153229-35-7
C_ID C00049343 ,
InChIKey SEBLWMWBTMFYAH-UFGGBSGLNA-N
InChICode InChI=1S/C33H42O10/c1-17-23-15-33(31(6,7)39)16-25(40-19(3)34)18(2)27(33)28(43-30(38)22-12-10-9-11-13-22)29(42-21(5)36)32(23,8)26(14-24(17)37)41-20(4)35/h9-13,23-26,28-29,37,39H,1,14-16H2,2-8H3/t23-,24+,25+,26+,28-,29+,32+,33+/m1/s1
SMILES C=C1[C@H]2C[C@]3(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceChen,J.Nat.Prod.,62,(1999),149