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)-

CAS Registry Number®

125-93-9

CAS Name

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)-

Molecular Formula

C63H98O6

Molecular Mass

951.45

Cite this Page

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)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125-93-9 (retrieved 2024-11-25) (CAS RN: 125-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=KZAOFYDFGRIAQU-UHFFFAOYSA-N

SMILES

CC12C(C(C(OC(COC(=O)C3(C)C4C(C)(C5C(CC4)=CC(C(C)C)CC5)CCC3)COC(=O)C6(C)C7C(C)(C8C(CC7)=CC(C(C)C)CC8)CCC6)=O)(C)CCC1)CCC=9C2CCC(C(C)C)C9

Canonical SMILES

O=C(OCC(OC(=O)C1(C)CCCC2(C)C3C(=CC(CC3)C(C)C)CCC12)COC(=O)C4(C)CCCC5(C)C6C(=CC(CC6)C(C)C)CCC45)C7(C)CCCC8(C)C9C(=CC(CC9)C(C)C)CCC78

Other Names for this Substance

  • 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)-
  • Abietic acid, dihydro-, triester with glycerol
  • 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-(1α,4aβ,4bα,10aα)]-
  • 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)-
  • Glycerol, tris(dihydroabietate)

CAS INSIGHTSTM
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