input word = C00031275

Metabolite InformationStructural formula
Name Salviadienol A
Formula C28H42O12
Mw 570.26762681
CAS RN 1064085-05-7
C_ID C00031275 ,
InChIKey OMFZIXVNRKLPFK-VAQISHOFNA-N
InChICode InChI=1S/C28H42O12/c1-14(12-36-18(5)29)23-11-26(40-28(35)15(2)17(4)38-20(7)31)16(3)27(39-21(8)32)25(34)10-22(9-24(23)33)13-37-19(6)30/h9,14-15,17,23-27,33-34H,3,10-13H2,1-2,4-8H3/b22-9-/t14-,15-,17+,23+,24-,25+,26-,27+/m1/s1
SMILES [C@@H]1(C/C(=C/[C@H]([C@@H](C[C@H](C(=C)[C@@H]1OC(=O)C)OC(=O)[C@H](C)[C@@H](OC(=O)C)C)[C@@H](COC(=O)C)C)O)/COC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia chinensis Ref.
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OrganismSalvia chinensis
ReferenceWang,Chem.Pharm.Bull.,56,(2008),843