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(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one | CAS No. 51022-71-0

(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyl-2-octanyl)-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one

Basic Information

Chemical_Structure_Of
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CAS Number

51022-71-0

Molecular Formula

C24H36O3

Molecular Weight

372.55 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

155-156°C

Solubility

DMSO: ~18 mg/mL, soluble

SMILES

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CCCCCCC(C)(C)C1=CC(=C2C3CC(=O)CCC3C(OC2=C1)(C)C)O

InChI

InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1

InChIKey

GECBBEABIDMGGL-RTBURBONSA-N

LogP

6.264000000000007

pKa

pKa in 66% DMF: 13.5(at 25℃)

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

524

Synonyms & References

English

  • BDBM50287941
  • 9H-Dibenzo[b,d]pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-
  • (+-)-trans-3-(1,1-Dimethylheptyl-7,8,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo(b,d)pyran-9(6aH)-on
  • (+/-)-3-(1,1-DIMETHYLHEPTYL-6,6Abeta,7,8,10,10Aalpha-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-9H-DIBENZO(B,D)PYRAN-9-ONE
  • (6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-benzo[c]chromen-9-one
  • CPD-109514
  • NABILONE [WHO-DD]
  • 9H-Dibenzo(b,d)pyran-9-one, 3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)-rel-
  • 9H-DIBENZO(B,D)PYRAN-9-ONE, 3-(1,1-DIMETHYLHEPTYL)-6,6A,7,8,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-, TRANS-, (+/-)-
  • DEA No. 7379
  • trans-3-(1',1'-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
  • 51022-71-0
  • CPD 109514
  • 2N4O9L084N
  • Cesamet (TN)
  • Nabilone
  • DTXSID8023341
  • D05099
  • N-0100
  • (+/-)-3-(1,1-DIMETHYLHEPTYL-6,6A.BETA.,7,8,10,10A.ALPHA.-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-9H-DIBENZO(B,D)PYRAN-9-ONE
  • (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
  • Cesamet
  • Nabilone, solid, >=98% (HPLC)
  • UNII-2N4O9L084N
  • DTXCID501473954
  • NABILONE (MART.)
  • A04AD11
  • (-)-trans-3-(1,1-dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9h-dibenzo[b,d]pyran-9-one
  • (6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one
  • 61617-09-2
  • Lilly 109514

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Supplier Information

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 51022-71-0

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(�)-trans-3-(1,1-Dimethylheptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]-pyran-9-one — Chemisch-pharmazeutisches Labor, Rolf Sachse GmbH

Chemisch-pharmazeutisches Labor, Rolf Sachse GmbH

CAS Number: 51022-71-0

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