(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-tetrolMolecular Formula
C42H32O9Molecular Mass
680.70Cite 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 ) (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