input word = C00038360

Metabolite InformationStructural formula
Name Acutissimatriterpene B
(+)-Acutissimatriterpene B
Formula C39H50O6
Mw 614.36073933
CAS RN 1005390-42-0
C_ID C00038360 ,
InChIKey DUBRTGHCJCCRAJ-KVYQYXMANA-N
InChICode InChI=1S/C39H50O6/c1-33(42-5)20-39(44-22-33)19-26(32(41)45-39)27-12-16-38-21-37(27,38)15-13-29-34(2)14-11-25-17-28(24-9-7-6-8-10-24)43-23-35(25,3)30(34)18-31(40)36(29,38)4/h6-11,19,27-31,40H,12-18,20-23H2,1-5H3/t27-,28-,29+,30+,31+,33+,34+,35-,36-,37+,38+,39+/m0/s1
SMILES C1=C2[C@@]([C@H]3[C@](C1)([C@@H]1[C@@]([C@@H](C3)O)([C@@]34[C@@](CC1)([C@@H](CC3)C1=C[C@@]3(OC1=O)C[C@](CO3)(OC)C)C4)C)C)(CO[C@@H](C2)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acutissima Ref.
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OrganismPhyllanthus acutissima
ReferenceTuchinda,J.Nat.Prod.,71,(2008),655