(Q105143859)

English

(12R)-15,16-Epoxy-5alpha,12-dihydroxy-2-oxo-9,10-secolabda-1(10),8,13(16),14-tetraen-20-oic acid 20,12-lactone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(Furan-3-yl)-5-[2-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)ethyl]-2,3-dihydropyran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₅

0 references

canonical SMILES

O=C1OC(C2=COC=C2)CC=C1CCC3(O)C(=CC(=O)CC3(C)C)C

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isomeric SMILES

CC1=CC(=O)CC(C)(C)[C@]1(O)CCC1=CC[C@H](c2ccoc2)OC1=O

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found in taxon

Tamaulipa azurea

1 reference

stated in

Seco-labdanes fromTamaulipa azurea and constituents from other eupatorieae

Identifiers

InChI

InChI=1S/C20H24O5/c1-13-10-16(21)11-19(2,3)20(13,23)8-6-14-4-5-17(25-18(14)22)15-7-9-24-12-15/h4,7,9-10,12,17,23H,5-6,8,11H2,1-3H3/t17-,20+/m1/s1

0 references

InChIKey

KOKVSQKIJMKTEH-XLIONFOSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOKVSQKIJMKTEH-XLIONFOSSA-N

1 reference

(Q105143859)

(12R)-15,16-Epoxy-5alpha,12-dihydroxy-2-oxo-9,10-secolabda-1(10),8,13(16),14-tetraen-20-oic acid 20,12-lactone

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Identifiers

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