Basic information
- CAS
85042-77-9- Standard SMILES
COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4- InChIKey
NSFCLBVWJYYZMR-DNVFCKCGSA-N- Molecular formula
- C23H24O8
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.14711772
Overview
12a-Hydroxydalpanol has been reported in Amorpha fruticosa and Streptomyces griseus with data available.
Names & identifiers
- Preferred name
- 1',2'-Dihydro-2',6-dihydroxyrotenone
- IUPAC
- (1R,6R,13R)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
- English name
- (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-t etrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R-( 2alpha,6aalpha,12aalpha))-
- Molecular formula
- C23H24O8
- Molecular weight
- 428.43
Names & synonyms
85042-77-9DH-2,6-OH-rotenone1',2'-Dihydro-2',6-dihydroxyrotenoneRefChem:90651512a-hydroxydalpanol(1R,6R,13R)-13-hydroxy-6-(2-hydroxypropan-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneNSC646924CHEMBL515078orb1992485DTXSID801005413AKOS040734243NSC-646924
Show more names
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R,6aR,12aR)-(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-t etrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R-( 2alpha,6aalpha,12aalpha))-
NCI60_016219NCGC00385138-01!T124098(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-(1-hydroxy-1-methylethyl)-8,9-dimethoxy-, (2R-(2alpha,6aalpha,12aalpha))-(2R,6aR,12aR)-6a-Hydroxy-2-(2-hydroxypropan-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one6a-Hydroxy-2-(2-hydroxypropan-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 712
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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