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] bis[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate]

CAS Registry Number®

127-23-1
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CAS Name

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] bis[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate]

Molecular Formula

C85H124O8

Molecular Mass

1273.89

Cite this Page

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] bis[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127-23-1 (retrieved 2024-09-21) (CAS RN: 127-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=BQSWWPVLPPRSPJ-FIKIKMCASA-N

SMILES

C[C@@]12[C@]([C@@](C(OCC(COC(=O)[C@@]3(C)[C@]4([C@@](C)([C@@]5(C(=CC4)C=C(C(C)C)CC5)[H])CCC3)[H])(COC(=O)[C@@]6(C)[C@]7([C@@](C)([C@@]8(C(=CC7)C=C(C(C)C)CC8)[H])CCC6)[H])COC(=O)[C@@]9(C)[C@]%10([C@@](C)([C@@]%11(C(=CC%10)C=C(C(C)C)CC%11)[H])CCC9)[H])=O)(C)CCC1)(CC=C%12[C@@]2(CCC(C(C)C)=C%12)[H])[H]

Canonical SMILES

O=C(OCC(COC(=O)C1(C)CCCC2(C)C3C(C=C(CC3)C(C)C)=CCC12)(COC(=O)C4(C)CCCC5(C)C6C(C=C(CC6)C(C)C)=CCC45)COC(=O)C7(C)CCCC8(C)C9C(C=C(CC9)C(C)C)=CCC78)C%10(C)CCCC%11(C)C%12C(C=C(CC%12)C(C)C)=CCC%10%11

Other Names for this Substance

  • 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)-
  • Podocarpa-8,12-dien-15-oic acid, 13-isopropyl-, neopentanetetrayl ester
  • 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
  • 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)-
  • 1,1′-[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] bis[(1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate]

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