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Substance Name: Methyl 13,14-epoxyabietate
RN: 55154-40-0
InChIKey: INTMBKXFXCEBHM-LPLZUFFLSA-N

Note

  • A contact allergen.

Molecular Formula

  • C21-H32-O3

Molecular Weight

  • 332.4808
 
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Names and Synonyms

Name of Substance

  • Methyl 13,14-epoxyabietate

Systematic Name

  • Phenanthro(1,2-b)oxirene-4-carboxylic acid, 1a,3,3a,4,5,6,7,7a,7b,8,9,9a-dodecahydro-4,7a-dimethyl-9a-(1-methylethyl)-, methyl ester, (1aR-(1aalpha,3abeta,4beta,7aalpha,7bbeta,9aalpha))-,

Registry Numbers

CAS Registry Number

  • 55154-40-0

System Generated Number

  • 0055154400

Structure Descriptors

InChI

1S/C21H32O3/c1-13(2)21-12-10-16-17(20(21,4)24-21)9-8-15-14(18(22)23-5)7-6-11-19(15,16)3/h9,13-16H,6-8,10-12H2,1-5H3/t14-,15+,16+,19+,20-,21-/m1/s1

InChIKey

INTMBKXFXCEBHM-LPLZUFFLSA-N

Smiles

CC(C)[C@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(CCC[C@H]4C(=O)OC)C)[C@]1(O2)C