(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol

CAS Registry Number®

104380-52-1

CAS Name

(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol

Molecular Formula

C42H32O9

Molecular Mass

680.70

Cite this Page

(5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104380-52-1 (retrieved 2024-11-13) (CAS RN: 104380-52-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H32O9/c43-24-7-1-20(2-8-24)35-38(23-13-27(46)15-28(47)14-23)36(21-3-9-25(44)10-4-21)41-32-17-30(49)19-34(51)40(32)37(22-5-11-26(45)12-6-22)42(41)31-16-29(48)18-33(50)39(31)35/h1-19,35,37,41-51H/t35-,37+,41-,42+/m0/s1

InChIKey

InChIKey=WJBCPQVBWGTJNA-GUOLYAGMSA-N

SMILES

OC1=C2C([C@@]3([C@@]([C@@H]2C4=CC=C(O)C=C4)(C=5C([C@H](C(=C3C6=CC=C(O)C=C6)C7=CC(O)=CC(O)=C7)C8=CC=C(O)C=C8)=C(O)C=C(O)C5)[H])[H])=CC(O)=C1

Canonical SMILES

OC=1C=CC(=CC1)C2=C(C3=CC(O)=CC(O)=C3)C(C4=CC=C(O)C=C4)C=5C(O)=CC(O)=CC5C6C(C7=CC=C(O)C=C7)C=8C(O)=CC(O)=CC8C26

Other Names for this Substance

  • Dibenz[a,e]azulene-2,4,9,11-tetrol, 6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-, (5S,7aS,12R,12aS)-
  • Dibenz[a,e]azulene-2,4,9,11-tetrol, 6-(3,5-dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)-, [5S-(5α,7aα,12α,12aβ)]-
  • (5S,7aS,12R,12aS)-6-(3,5-Dihydroxyphenyl)-5,7a,12,12a-tetrahydro-5,7,12-tris(4-hydroxyphenyl)dibenz[a,e]azulene-2,4,9,11-tetrol
  • Copalliferol B
  • (-)-Copalliferol B

CAS INSIGHTSTM
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