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Substance Name: Abietyl acetate
RN: 54200-50-9
UNII: I0S2JS6HIS
InChIKey: JVRVYQYYINXFCM-MYGLTJDJSA-N

Molecular Formula

  • C22-H34-O2

Molecular Weight

  • 330.509
 
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Names and Synonyms

Name of Substance

  • Abietyl acetate

Synonyms

  • Abietyl acetate
  • EINECS 259-025-2
  • UNII-I0S2JS6HIS

Systematic Names

  • (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol acetate
  • 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1-acetate, (1R,4aR,4bR,10aR)-
  • 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R,4aR,4bR,10aR)-

Registry Numbers

CAS Registry Number

  • 54200-50-9

FDA UNII

  • I0S2JS6HIS

System Generated Number

  • 0054200509

Structure Descriptors

InChI

InChI=1S/C22H34O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h8,13,15,19-20H,6-7,9-12,14H2,1-5H3/t19-,20-,21-,22+/m0/s1

InChIKey

JVRVYQYYINXFCM-MYGLTJDJSA-N

Smiles

CC(C)C1=CC2=CC[C@H]3[C@](C)(COC(=O)C)CCC[C@]3(C)[C@H]2CC1