(Q104990363)

English

Methyl 15,16-epoxy-12-oxo-8(20),13(16),14-ent-labdatrien-19-oate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

344.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aR,5S,8aR)-5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,4aS,5R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₄

0 references

canonical SMILES

O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CC(=O)C3=COC=C3

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CC(=O)c1ccoc1

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found in taxon

Stuckenia pectinata

1 reference

stated in

ent-Labdane diterpenes from the aquatic plant Potamogeton pectinatus

Ruppia maritima

1 reference

stated in

Antialgal ent-labdane diterpenes from Ruppia maritima

Identifiers

InChI

InChI=1S/C21H28O4/c1-14-6-7-18-20(2,9-5-10-21(18,3)19(23)24-4)16(14)12-17(22)15-8-11-25-13-15/h8,11,13,16,18H,1,5-7,9-10,12H2,2-4H3/t16-,18-,20+,21-/m1/s1

0 references

InChIKey

DVUUHZNLLSLOKO-FRTACKCFSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

DVUUHZNLLSLOKO-FRTACKCFSA-N

1 reference

(Q104990363)

Methyl 15,16-epoxy-12-oxo-8(20),13(16),14-ent-labdatrien-19-oate

Statements

Identifiers

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