(Q104976165)

English

(9alpha,10alpha)-15,16-Epoxylabda-8(20),13(16),14-trien-18-oic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

330.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Daniellic acid methyl

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

Methyl (1R,4aR,5S,8aR)-5-[2-(furan-3-yl)ethyl]-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

C₂₁H₃₀O₃

0 references

canonical SMILES

O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CCC3=COC=C3

0 references

isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1

0 references

found in taxon

Ruppia maritima

1 reference

stated in

Antialgal ent-labdane diterpenes from Ruppia maritima

Identifiers

InChI

InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18-,20+,21-/m1/s1

0 references

InChIKey

DCZZBGIVZGGJDO-RMVXJAJNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCZZBGIVZGGJDO-RMVXJAJNSA-N

1 reference

(Q104976165)

(9alpha,10alpha)-15,16-Epoxylabda-8(20),13(16),14-trien-18-oic acid methyl ester

Statements

Identifiers

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