(Q105233182)

English

(13S)-15-Hydroxylabd-8(20)-en-19-oic acid methyl ester

chemical compound

In more languages

Statements

type of chemical entity

0 references

methyl 5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

15-Hydroxyimbricatolic acid

1 reference

based on heuristic

inferred from SMILES

336.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,4aR,5S,8aS)-5-[(3S)-5-hydroxy-3-methylpentyl]-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

C₂₁H₃₆O₃

0 references

canonical SMILES

O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CCC(C)CCO

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isomeric SMILES

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

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Cryptomeria japonica

1 reference

Labdanes from Cryptomeria japonica

Juniperus communis

1 reference

Diterpene acids from Juniperus communis subsp. Hemisphaerica

Juniperus communis var. communis

1 reference

Diterpene acids from Juniperus communis subsp. Hemisphaerica

Pinus elliottii

1 reference

New labdane resin acids from Pinus elliottii

Identifiers

InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17-,18+,20+,21-/m0/s1

0 references

RBLSXVITVQCZSU-SQFBREILSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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