Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Abietic acid, dihydro-, triester with glycerol
RN: 125-93-9
InChIKey: KZAOFYDFGRIAQU-UHFFFAOYSA-N

Molecular Formula

  • C63-H98-O6

Molecular Weight

  • 951.461
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Abietic acid, dihydro-, triester with glycerol

Synonyms

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
  • Abietic acid, dihydro-, triester with glycerol
  • EINECS 204-761-1
  • HSDB 5607

Systematic Names

  • 1,2,3-Propanetriyl (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1',1''-(1,2,3-propanetriyl) ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1R,1'R,1''R,4aR,4'aR,4''aR,4bR,4'bR,4''bR,10aR,10'aR,10''aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,2,3-propanetriyl ester, (1theta-(1alpha,4abeta,4balpha,10aalpha))-

Registry Numbers

CAS Registry Number

  • 125-93-9

System Generated Number

  • 0000125939

Structure Descriptors

InChI

1S/C63H98O6/c1-39(2)42-16-22-49-45(34-42)19-25-52-58(49,7)28-13-31-61(52,10)55(64)67-37-48(69-57(66)63(12)33-15-30-60(9)51-24-18-44(41(5)6)36-47(51)21-27-54(60)63)38-68-56(65)62(11)32-14-29-59(8)50-23-17-43(40(3)4)35-46(50)20-26-53(59)62/h34-36,39-44,48-54H,13-33,37-38H2,1-12H3

InChIKey

KZAOFYDFGRIAQU-UHFFFAOYSA-N

Smiles

C1[C@@]2([C@@H]([C@@](CC1)(C(OC(COC([C@@]1([C@@H]3[C@@]([C@@H]4C(=C[C@@H](C(C)C)CC4)CC3)(CCC1)C)C)=O)COC([C@@]1([C@@H]3[C@@]([C@@H]4C(=C[C@@H](C(C)C)CC4)CC3)(CCC1)C)C)=O)=O)C)CCC=1[C@@H]2CC[C@@H](C1)C(C)C)C