(Q105225351)

English

(1R,7S,8R,9S)-9-[(1E,3E)-4-carboxypenta-1,3-dienyl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-[(1E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,7S,8R,9R)-9-[(1E,3E)-4-carboxy-4-methylbuta-1,3-dien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-ene-4-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(O)C(=CC=CC1(OC(=O)C23CC=C(C(=O)O)CCC3(O)C1CC2)C)C

0 references

isomeric SMILES

C/C(=C\C=C\[C@]1(C)OC(=O)[C@]23CC=C(C(=O)O)CC[C@]2(O)[C@H]1CC3)C(=O)O

0 references

found in taxon

Pseudolarix amabilis

1 reference

stated in

Two auronols from Pseudolarix amabilis

Identifiers

InChI

InChI=1S/C20H24O7/c1-12(15(21)22)4-3-8-18(2)14-7-10-19(17(25)27-18)9-5-13(16(23)24)6-11-20(14,19)26/h3-5,8,14,26H,6-7,9-11H2,1-2H3,(H,21,22)(H,23,24)/b8-3+,12-4+/t14-,18-,19+,20-/m0/s1

0 references

InChIKey

QPFFEVMIQIJTGZ-ZFCALPILSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPFFEVMIQIJTGZ-ZFCALPILSA-N

(Q105225351)

(1R,7S,8R,9S)-9-[(1E,3E)-4-carboxypenta-1,3-dienyl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid

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Identifiers

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