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Substance Name: Pentaerythrityl tetra(tetrahydroabietate)
RN: 122731-35-5
UNII: U0EIN38F14
InChIKey: RZEQAJUKTZPSAD-LQSPRSPPSA-N

Molecular Formula

  • C85-H140-O8

Molecular Weight

  • 1290.033
 
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Names and Synonyms

Name of Substance

  • Pentaerythrityl tetra(tetrahydroabietate)

Synonyms

  • 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis((((tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, stereoisomer
  • Pentaerythrityl tetra(tetrahydroabietate)
  • UNII-U0EIN38F14

Registry Numbers

CAS Registry Number

  • 122731-35-5

FDA UNII

  • U0EIN38F14

System Generated Number

  • 0122731355

Structure Descriptors

InChI

1S/C85H140O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h53-72H,17-52H2,1-16H3/t57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1

InChIKey

RZEQAJUKTZPSAD-LQSPRSPPSA-N

Smiles

CC(C)[C@@H]1CC[C@H]2[C@@H](CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@H]6CC[C@H](C[C@@H]6CC[C@@H]45)C(C)C)(COC(=O)[C@]7(C)CCC[C@]8(C)[C@H]9CC[C@H](C[C@@H]9CC[C@@H]78)C(C)C)COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@H]%12CC[C@H](C[C@@H]%12CC[C@@H]%10%11)C(C)C)C1