chempirical

Brazilin

C16H14O5CAS 474-07-7286.28 g/mol

Open in Covalent MOL file
OHOOHHOHO
AlcoholEtherPhenol

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
Melting point
156–157 °C
logP
1.61Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
474-07-7
SMILES
Oc1ccc2c(c1)OC[C@]1(O)Cc3cc(O)c(O)cc3[C@H]21
InChIKey
UWHUTZOCTZJUKC-JKSUJKDBSA-N
InChI
InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS,11bR)-
  • Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS-cis)-
  • (6aS,11bR)-7,11b-Dihydrobenz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol
  • Brasilin
  • Braziletto
  • Hypernic extract
  • Limawood extract
  • Pernambuco extract
  • Superbresiline
  • (+)-Brazilin
  • NSC 56652
  • (6AS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol

Work with Brazilin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Sakuranetin2957-21-3 Isosakuranetin480-43-3 Guacetisal55482-89-8 Licochalcone B58749-23-8 p-Anisic anhydride794-94-5

Elsewhere

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