(Q81981670)

English

(-)-aromadendrene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

1 reference

1 reference

1 reference

(1aR,7aR,7bS)-1,1,7-trimethyl-4-methylidene-octahydro-1aH-cyclopropa[e]azulene

1 reference

1 reference

(1aR,7S,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

1 reference

based on heuristic

inferred from SMILES

mass

204.187800768 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1aR,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1aS,4aS,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1aS,4aR,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1aS,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

1 reference

1 reference

(-)-Alloaromadendrene

1 reference

based on heuristic

inferred from InChI

(1aS,4aS,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

1 reference

based on heuristic

inferred from InChI

(+)-Alloaromadendrene

1 reference

based on heuristic

inferred from InChI

(1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₄

0 references

canonical SMILES

C=C1CCC2C(C3C1CCC3C)C2(C)C

0 references

isomeric SMILES

C[C@H]1CC[C@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CCC2=C

0 references

found in taxon

Cassinia laevis

1 reference

stated in

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Cassinia uncata

1 reference

stated in

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Nassauvia pygmaea

1 reference

stated in

5-methylcoumarins from Nassauvia species

Valeriana officinalis

1 reference

stated in

Essential oils from normal and hairy roots of Valeriana officinalis var. sambucifolia

Identifiers

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m0/s1

0 references

InChIKey

ITYNGVSTWVVPIC-NDKCEZKHSA-N

0 references

CAS Registry Number

14682-34-9

1 reference

InChIKey

ITYNGVSTWVVPIC-NDKCEZKHSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=14682-34-9

PubChem CID

177445

1 reference

matched by identifier from

InChIKey

ITYNGVSTWVVPIC-NDKCEZKHSA-N

ChEBI ID

166671

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

ITYNGVSTWVVPIC-NDKCEZKHSA-N

DSSTOX compound identifier

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

ITYNGVSTWVVPIC-NDKCEZKHSA-N

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