(3aR,7S,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one | CAS No. 146436-22-8

(3aR,7S,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one

Basic Information

CAS Number

146436-22-8

Molecular Formula

C25H38O4

Molecular Weight

402.58 g/mol

AD

Basic Physical Properties

Boiling Point

580.5°Cat760mmHg

Density

1.064

Flash Point

318.9°C

Refractive Index

1.53

CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)CO)C)C

InChI

InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13-,18-10-/t19-,20-,21+,25+/m1/s1

InChIKey

UTGBBPSEQPITLF-QMDQJFAJSA-N

LogP

5.186100000000005

Topological Polar Surface Area

77.76 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

740

Synonyms & References

English

  • (3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-((S)-1-hydroxypropan-2-yl)-6,10,14,16a-tetramethyl-3a,4,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(7H)-one
  • NCGC00179723-01
  • DTXSID701017681
  • UNII-GF9UM66CY6
  • 146436-22-8
  • (1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
  • Terpestacin
  • GF9UM66CY6
  • 1(3aH)-Cyclopentacyclopentadecenone, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-(2-hydroxy-1-methylethyl)-6,10,14,16a-tetramethyl-, (3aR-(3(S*),3aR*,5E,7S*,10E,14E,16aS*))-
  • CHEBI:167861
  • 1(3aH)-Cyclopentacyclopentadecenone,4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a-tetramethyl-,(3aR,5E,7S,10E,14E,16aS)-
  • 1(3aH)-Cyclopentacyclopentadecenone,4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a
  • (3aR,7S,16aS)-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one

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