(Q105212895)

English

methyl (2S,4S,6S,12R)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

372.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,4R,6S,12R)-4-Methyl-12-(1-methylethenyl)-8-oxo-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-9(18),14,16(1)-triene-15-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₁H₂₄O₆

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canonical SMILES

O=C(OC)C=1C=C2OC1CC(C(=C)C)CCC3=CC(OC3=O)CC4(OC24)C

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isomeric SMILES

C=C(C)[C@@H]1CCC2=C[C@H](C[C@]3(C)O[C@@H]3c3cc(C(=O)OC)c(o3)C1)OC2=O

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found in taxon

Tochuina tetraquetra

1 reference

stated in

Terpenoid metabolites from skin extracts of the dendronotid nudibranch Tochuinatetraquetra

Tritonia tetraquetra

1 reference

stated in

Terpenoid metabolites from skin extracts of the dendronotid nudibranch Tochuinatetraquetra

Identifiers

InChI

InChI=1S/C21H24O6/c1-11(2)12-5-6-13-7-14(25-19(13)22)10-21(3)18(27-21)17-9-15(20(23)24-4)16(8-12)26-17/h7,9,12,14,18H,1,5-6,8,10H2,2-4H3/t12-,14-,18-,21+/m1/s1

0 references

InChIKey

PPHCYWKQJLNLQQ-LCPOFBJFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PPHCYWKQJLNLQQ-LCPOFBJFSA-N

(Q105212895)

methyl (2S,4S,6S,12R)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate

Statements

Identifiers

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