Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentaerythritol tetraabietate
RN: 127-23-1
UNII: VF71DNS70H
InChIKey: BQSWWPVLPPRSPJ-FIKIKMCASA-N

Molecular Formula

  • C85-H124-O8

Molecular Weight

  • 1273.91
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Pentaerythritol tetraabietate
  • Pentaerythrityl tetraabietate

Synonyms

  • EINECS 204-830-6
  • UNII-VF71DNS70H

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl) ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis((((1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, stereoisomer

Registry Numbers

CAS Registry Number

  • 127-23-1

FDA UNII

  • VF71DNS70H

System Generated Number

  • 0000127231

Structure Descriptors

InChI

1S/C85H124O8/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/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1

InChIKey

BQSWWPVLPPRSPJ-FIKIKMCASA-N

Smiles

C=1(CC[C@@H]2[C@@]3(CCC[C@@]([C@@H]3CC=C2C1)(C)C(OCC(COC([C@@]1([C@@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@@]2(CCC1)C)C)=O)(COC([C@@]1([C@@H]2CC=C3C=C(C(C)C)CC[C@H]3[C@@]2(CCC1)C)C)=O)COC([C@@]1([C@@H]2CC=C3C=C(CC[C@H]3[C@@]2(CCC1)C)C(C)C)C)=O)=O)C)C(C)C