(1R,10S)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol



Compound number:
MolPort-002-507-295
CAS number: 1412-19-7; 517-28-2
IUPAC:
(1R,10S)-8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2(7),3,5,12(17),13,15-hexaene-5,6,10,14,15-pentol
IUPAC traditional:
(+)-hematoxylin
SMILES:
Oc1ccc2[C@H]3c4cc(O)c(O)cc4C[C@@]3(O)COc2c1O |r|
InChI key:
WZUVPPKBWHMQCE-XJKSGUPXSA-N
Molecular formula:
C16H14O6
Molecular weight: 302.282
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-002-507-295
CAS number: 1412-19-7; 517-28-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000155806
MFCD00078111
MFCD00150817
(6aS,11bR)-6,6a,7,11b-tetrahydroindeno[2,1-c]chromene-3,4,6a,9,10-pentaol
7,b-Dihydro-indeno2,-cchromene-3,4,6a,9,0-pentaol
Benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-,(6aS,11bR)-
CI 75290, Hydroxybraslin, Natural Black 1, Haematoxylin
Haematoxylin Natural Black 1
HEMATOXYLIN
Hematoxylin (Hydroxybrazilin)
Hematoxyline
Hematoxylin(Hydroxybrazilin)
Hydroxybrazilin, Natural Black 1
Natural Black 1Haematoxylin
rac-(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol

InChI
InChI: 1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
InChI key: WZUVPPKBWHMQCE-XJKSGUPXSA-N

Calculated Properties
Molecular formula: C16H14O6
Molecular weight: 302.282

Other

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