(Q105228422)

English

(4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,10(14)-Cadinadien-3-one

1 reference

based on heuristic

inferred from SMILES

mass

218.167065324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₅H₂₂O

0 references

canonical SMILES

O=C1C(=CC2C(C(=C)CCC2C(C)C)C1)C

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isomeric SMILES

C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)C(=O)C[C@H]12

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found in taxon

Chamaecyparis obtusa

1 reference

stated in

Five new cadinane-type sesquiterpenes from the heartwood of Chamaecyparis obtusa var. formosana

Chamaecyparis obtusa var. formosana

1 reference

stated in

Five new cadinane-type sesquiterpenes from the heartwood of Chamaecyparis obtusa var. formosana

Identifiers

InChI

InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13+,14-/m0/s1

0 references

InChIKey

QUTSKAAVYUOEQA-MJBXVCDLSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QUTSKAAVYUOEQA-MJBXVCDLSA-N

1 reference

NMRShiftDB structure ID

10006725

1 reference

matched by identifier from

InChIKey

QUTSKAAVYUOEQA-MJBXVCDLSA-N

(Q105228422)

(4aR)-3-Methyl-5alpha-isopropyl-8-methylene-4aalpha,5,6,7,8,8aalpha-hexahydronaphthalene-2(1H)-one

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Identifiers

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