(Q105272072)

English

(1S,4aR,5R,8aS)-5-[(3R)-1-methoxypentan-3-yl]-1,4a-dimethyl-6-methylidene-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

5-(1-methoxypentan-3-yl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C(C(=C)CCC12)C(CC)CCOC

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isomeric SMILES

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

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found in taxon

Pinus sibirica

1 reference

stated in

Chemical composition of the bark ofPinus sibirica

Identifiers

InChI

InChI=1S/C20H34O3/c1-6-15(10-13-23-5)17-14(2)8-9-16-19(17,3)11-7-12-20(16,4)18(21)22/h15-17H,2,6-13H2,1,3-5H3,(H,21,22)/t15-,16+,17+,19-,20+/m1/s1

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InChIKey

UFSBKIDLLGCBLW-QQBOBMDFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFSBKIDLLGCBLW-QQBOBMDFSA-N

(Q105272072)

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

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Identifiers

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