(Q104995414)

English

(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5H-furan-3-yl)ethyl]-hexahydro-2H-naphthalene-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4aR,5S,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,5beta,9alpha,10alpha)-15,16-Epoxy-16-oxolabda-8(20),13-dien-19-oic acid

1 reference

based on heuristic

inferred from InChIKey

Nivenolide

1 reference

based on heuristic

inferred from InChI

(9R,10alpha)-16-Oxo-15,16-epoxylabda-8(20),13-dien-19-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

0 references

canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C(=O)O)(C)CCCC23C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CCOC1=O

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found in taxon

Stuckenia pectinata

1 reference

stated in

ent-Labdane diterpenes from the aquatic plant Potamogeton pectinatus

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m1/s1

0 references

InChIKey

FHQSDRHZGCMBKG-GIYDNNGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FHQSDRHZGCMBKG-GIYDNNGJSA-N

1 reference

(Q104995414)

(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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Identifiers

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