(1S,2S,4R,8S,9R,11R,12R)-1,12-Dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-9-yl 2-methylpropanoate | CAS No. 59979-61-2

(1S,2S,4R,8S,9R,11R,12R)-1,12-Dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-9-yl 2-methylpropanoate

Basic Information

CAS Number

59979-61-2

Molecular Formula

C19H28O7

Molecular Weight

368.43 g/mol

AD

Basic Physical Properties

Physical State

Cryst.

CC1CC2C(C(CC3(C(CC1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2

InChI

InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18+,19-/m0/s1

InChIKey

HREHFPZHVCNOMQ-YCIRREICSA-N

LogP

1.3104

Topological Polar Surface Area

102.29000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

629

Synonyms & References

English

  • ACon1_000272
  • CHEMBL518700
  • BDBM50394802
  • NCGC00180721-01
  • 7,9-Dihydroxy-6,10-dimethyl-3-methylidene-2-oxododecahydro-6,9-epoxycyclodeca[b]furan-4-yl 2-methylpropanoate
  • DTXSID80975404
  • MEGxp0_000075
  • BRD-K83245091-001-01-4
  • ACon0_000437
  • tagitinin A
  • Q27088925
  • [(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
  • GTPL8701
  • 59979-61-2
  • Propanoic acid,2-methyl-,(3aS,4R,6R,7S,9R,- 10S,11aR)-dodecahydro-7,9-dihydroxy-6,10- dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[ b]furan-4-yl ester
  • Propanoic acid,2-methyl-,(3aS,4R,6R,7S,9R,- 10S,11aR)-dodecahydro-7,9-dihydroxy-6,10- dimethyl...
  • Propanoic acid,2-methyl-,(3aS,4R,6R,7S,9R,- 10S,11aR)-dodecahydro-7,9-dihydroxy-6,10- dimethyl-3-methylene-2-oxo-6,9-epoxycyc
  • Tagitinin A
  • [ "" ]

MDL Number

MFCD17214861

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