(Q105173523)

English

3-hydroxy-5-[(E,3R,7S)-3-hydroxy-7-(4-oxocyclohexa-1,5-dien-1-yl)heptadec-1-enyl]-2-methoxycyclohexa-2,4-dien-1-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-hydroxy-5-[(3R,7S)-3-hydroxy-7-(4-oxocyclohexa-1,5-dien-1-yl)heptadec-1-enyl]-2-methoxycyclohexa-2,4-dien-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₅

0 references

canonical SMILES

O=C1C=CC(=CC1)C(CCCCCCCCCC)CCCC(O)C=CC2=CC(O)=C(OC)C(=O)C2

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isomeric SMILES

CCCCCCCCCC[C@@H](CCC[C@@H](O)/C=C/C1=CC(O)=C(OC)C(=O)C1)C1=CCC(=O)C=C1

0 references

Betula davurica

1 reference

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Betula dahurica

1 reference

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Betula dauurica

1 reference

Chemical Evaluation of Betula Species in Japan. IV. Constituents of Betula davurica.

Identifiers

InChI=1S/C30H44O5/c1-3-4-5-6-7-8-9-10-12-24(25-16-19-27(32)20-17-25)13-11-14-26(31)18-15-23-21-28(33)30(35-2)29(34)22-23/h15-19,21,24,26,31,33H,3-14,20,22H2,1-2H3/b18-15+/t24-,26+/m0/s1

0 references

MWDVFLQCDGBWDJ-CPRNLZCFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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