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Substance Name: alpha-Santalol acetate
RN: 41414-75-9
UNII: X7GK783K17
InChIKey: IXRPKRWXUJOOBZ-AVMVYAPKSA-N

Molecular Formula

  • C17-H26-O2

Molecular Weight

  • 262.3904
 
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Names and Synonyms

Name of Substance

  • alpha-Santalol acetate

Synonyms

  • (+)-alpha-Santalyl acetate
  • (Z)-alpha-Santalol acetate
  • alpha-Santalol acetate
  • alpha-Santalyl acetate
  • UNII-X7GK783K17

Systematic Name

  • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, acetate, stereoisomer

Registry Numbers

CAS Registry Number

  • 41414-75-9

FDA UNII

  • X7GK783K17

Other Registry Number

  • 77-87-2

System Generated Number

  • 0041414759

Structure Descriptors

InChI

1S/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-/t13?,14-,15+,16-,17?/m1/s1

InChIKey

IXRPKRWXUJOOBZ-AVMVYAPKSA-N

Smiles

CC(=O)OC\C(=C/CC[C@]1(C)C2C[C@H]3[C@@H](C2)C13C)\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974.