(Q105310139)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

334.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₃

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canonical SMILES

O=CCC(C)CCC1C(=C)CCC2C(C(=O)OC)(C)CCCC12C

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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)CC=O

0 references

1 reference

Major resin acids of Pinus nigra needles

Identifiers

InChI=1S/C21H34O3/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/h14-15,17-18H,2,6-13H2,1,3-5H3/t15-,17-,18+,20+,21+/m0/s1

0 references

WPQMVASLVXEISM-XTKDNXAFSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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