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Substance Name: Phthalic acid tetrahydroabietyl alcohol diester
RN: 36388-36-0
UNII: G39A62TNH7
InChIKey: VLSXLXWSXZUGFV-VAFYREIDSA-N

Molecular Formula

  • C48-H74-O4

Molecular Weight

  • 715.1086
 
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Names and Synonyms

Name of Substance

  • Phthalic acid tetrahydroabietyl alcohol diester

Synonyms

  • Bis((tetradecahydro-1,4a-dimethyl-7-isopropyl-1-phenanthrenyl)methyl) phthalate
  • EINECS 253-008-3
  • Phthalic acid, tetrahydroabietyl alcohol diester
  • UNII-G39A62TNH7

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-bis((tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl) ester
  • 1,2-Benzenedicarboxylic acid, bis((tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)methyl) ester
  • Bis((1,4a-dimethyl-7-(1-methylethyl)tetradecahydrophenanthryl)methyl) phthalate

Registry Numbers

CAS Registry Number

  • 36388-36-0

FDA UNII

  • G39A62TNH7

System Generated Number

  • 0036388360

Structure Descriptors

InChI

1S/C48H74O4/c1-31(2)33-15-19-39-35(27-33)17-21-41-45(5,23-11-25-47(39,41)7)29-51-43(49)37-13-9-10-14-38(37)44(50)52-30-46(6)24-12-26-48(8)40-20-16-34(32(3)4)28-36(40)18-22-42(46)48/h9-10,13-14,31-36,39-42H,11-12,15-30H2,1-8H3/t33?,34?,35?,36?,39-,40-,41-,42-,45-,46-,47+,48+/m0/s1

InChIKey

VLSXLXWSXZUGFV-VAFYREIDSA-N

Smiles

CC(C)C1CC[C@H]2C(CC[C@H]3[C@](C)(COC(=O)c4ccccc4C(=O)OC[C@]5(C)CCC[C@]6(C)[C@H]7CCC(CC7CC[C@@H]56)C(C)C)CCC[C@]23C)C1