(Q105213200)

English

methyl (E)-5-[(1S,4aS,6R,8aR)-6,8a-dimethyl-2,5-dimethylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 5-(6,8a-dimethyl-2,5-dimethylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

316.240230264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₂

0 references

canonical SMILES

O=C(OC)C=C(C)CCC1C(=C)CCC2C(=C)C(C)CCC12C

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isomeric SMILES

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

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found in taxon

Pinus strobus

1 reference

stated in

Diterpene resin acids from the needle oleoresin of pinus strobus

Identifiers

InChI

InChI=1S/C21H32O2/c1-14(13-20(22)23-6)7-9-18-16(3)8-10-19-17(4)15(2)11-12-21(18,19)5/h13,15,18-19H,3-4,7-12H2,1-2,5-6H3/b14-13+/t15-,18+,19+,21-/m1/s1

0 references

InChIKey

PQEUVMQCADMHBA-CCRLMCMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PQEUVMQCADMHBA-CCRLMCMRSA-N

(Q105213200)

methyl (E)-5-[(1S,4aS,6R,8aR)-6,8a-dimethyl-2,5-dimethylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate

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Identifiers

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