(Q105347715)

English

rel-(2E)-2-Methyl-5-[(1R,2S,4S)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-2-pentenal

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

santalanes

0 references

mass

218.167065324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

pelargonidin 3-rutinoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enal

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O

0 references

canonical SMILES

O=CC(=CCCC1(C(=C)C2CCC1C2)C)C

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isomeric SMILES

C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(\C)C=O

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found in taxon

Santalum album

2 references

stated in

A Chemical Investigation of the Volatile Constituents of East Indian Sandalwood Oil (SantalumalbumL.)

stated in

Isolation of new constituents with a formyl group from the heartwood of Santalum album L.

Identifiers

InChI

InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5+/t13-,14+,15+/m0/s1

0 references

InChIKey

YFOIGZMLDYUPOI-PPUYGKSJSA-N

0 references

CAS Registry Number

59331-82-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YFOIGZMLDYUPOI-PPUYGKSJSA-N

DSSTox substance ID

DTXSID601125025

1 reference

matched by identifier from

InChIKey

YFOIGZMLDYUPOI-PPUYGKSJSA-N

(Q105347715)

rel-(2E)-2-Methyl-5-[(1R,2S,4S)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-2-pentenal

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Identifiers

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