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Details

Stereochemistry MIXED
Molecular Formula C21H32O5
Molecular Weight 364.4758
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VANILLIN 3-(L-MENTHOXY)PROPANE-1,2-DIOL ACETAL

SMILES

COC1=C(O)C=CC(=C1)C2OCC(CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)O2

InChI

InChIKey=ZOGKSXQLOOQXFG-LTKHDUQWSA-N
InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3/t14-,16?,17+,19-,21?/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H32O5
Molecular Weight 364.4758
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:01:50 GMT 2023
Edited
by admin
on Sat Dec 16 01:01:50 GMT 2023
Record UNII
11474XHB39
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VANILLIN 3-(L-MENTHOXY)PROPANE-1,2-DIOL ACETAL
Common Name English
VANILLIN 3-((-)-MENTHOXY)(±)-PROPANE-1,2-DIOL ACETAL
Common Name English
2-METHOXY-4-(4-(((5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)OXY)METHYL)-1,3-DIOXOLAN-2-YL)-PHENOL
Systematic Name English
PHENOL, 2-METHOXY-4-(4-((((1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL)OXY)METHYL)-1,3-DIOXOLAN-2-YL)-
Systematic Name English
FEMA NO. 3904
Code English
Code System Code Type Description
CAS
207844-03-9
Created by admin on Sat Dec 16 01:01:50 GMT 2023 , Edited by admin on Sat Dec 16 01:01:50 GMT 2023
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EPA CompTox
DTXSID40174875
Created by admin on Sat Dec 16 01:01:50 GMT 2023 , Edited by admin on Sat Dec 16 01:01:50 GMT 2023
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JECFA MONOGRAPH
1857
Created by admin on Sat Dec 16 01:01:50 GMT 2023 , Edited by admin on Sat Dec 16 01:01:50 GMT 2023
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PUBCHEM
9969062
Created by admin on Sat Dec 16 01:01:50 GMT 2023 , Edited by admin on Sat Dec 16 01:01:50 GMT 2023
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FDA UNII
11474XHB39
Created by admin on Sat Dec 16 01:01:50 GMT 2023 , Edited by admin on Sat Dec 16 01:01:50 GMT 2023
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