input word = C00038362

Metabolite InformationStructural formula
Name Acutissimatriterpene D
(-)-Acutissimatriterpene D
Formula C39H50O6
Mw 614.36073933
CAS RN 1005390-44-2
C_ID C00038362 ,
InChIKey DUBRTGHCJCCRAJ-BLGUPFSWNA-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 CO[C@@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acutissima Ref.
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