Account 4',4''-Dihydroxyanigorootin
- Catalog No. :
- ACLGUT544
- CAS No. :
- 448949-11-9
- Molecular Formula :
- C38H22O8
- Molecular Weight :
- 606.59
IUPAC Name:(6aS,6a1S,13aS,13a1S)-6a,13a-dihydroxy-1,8-bis(4-hydroxyphenyl)-6a,6a1,13a,13a1-tetrahydronaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1]isochromeno[5,4,3-cde]isochromene-7,14-dione
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Product Information
| Product Name | 4',4''-Dihydroxyanigorootin |
|---|---|
| IUPAC Name | (6aS,6a1S,13aS,13a1S)-6a,13a-dihydroxy-1,8-bis(4-hydroxyphenyl)-6a,6a1,13a,13a1-tetrahydronaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1]isochromeno[5,4,3-cde]isochromene-7,14-dione |
| MDL No. | MFCD28100314 |
| Molecular Formula | C38H22O8 |
| Molecular Weight | 606.59 |
| SMILES | O=C1C2=C(C3=CC=C(O)C=C3)C=CC3=C2C2=C(C=C3)O[C@]3(O)C(=O)C4=C(C5=CC=C(O)C=C5)C=CC5=C4C4=C(C=C5)O[C@@]1(O)[C@H]2[C@@H]43 |
| InChI Key | MQHLUOTXEDJGPU-HVYOWVPISA-N |
| Synonym | 4',4''-Dihydroxyanigorootin;(6aR,13aR,14dR,14eR)-rel-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-bis(4-hydroxyphenyl)naphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione;-Dihydroxyanigorootin;Naphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione, 6a,13a,14d,14e-tetrahydro-6a,13a-dihydroxy-1,8-bis(4-hydroxyphenyl)-, (6aR,13aR,14dR,14eR)-rel- (9CI) |
| CAS No. | 448949-11-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACLGUT544 Molecular Building Block Synthetic Route
(5aR,10aS)-2-((1S,2R,3S)-2-(2,4-Dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-benzofuro[3,2-b]chromen-11-one
(5aS,10aR)-2-((1S,2R,3S)-2-(2,4-dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-benzofuro[3,2-b]chromen-11-one
(5AR,10aS)-1,3,8,10a-tetrahydroxy-2,5a-bis(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-benzofuro[3,2-b]chromen-11-one