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Substance Name: Pentaerythritol abietate
RN: 890028-17-8
UNII: W7893XK8S4
InChIKey: DUTZBUOZKIIFTG-XWVZOOPGSA-N

Molecular Formula

  • C25-H40-O5

Molecular Weight

  • 420.586
 
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Names and Synonyms

Name of Substance

  • Pentaerythritol abietate

Synonyms

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester, (1R,4aR,4bR,10aR)-
  • Pentaerythritol abietate
  • Pentaerythritol, abietate
  • Pentaerythrityl abietate
  • UNII-W7893XK8S4

Registry Numbers

CAS Registry Number

  • 890028-17-8

FDA UNII

  • W7893XK8S4

System Generated Number

  • 0890028178

Structure Descriptors

InChI

1S/C25H40O5/c1-17(2)18-6-8-20-19(12-18)7-9-21-23(20,3)10-5-11-24(21,4)22(29)30-16-25(13-26,14-27)15-28/h7,12,17,20-21,26-28H,5-6,8-11,13-16H2,1-4H3/t20-,21+,23+,24+/m0/s1

InChIKey

DUTZBUOZKIIFTG-XWVZOOPGSA-N

Smiles

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