HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

9-(6,8-Dihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-5,6,8-trihydroxy-2-methyl-2,3-dihydrobenzo[g]chromen-4-one

HCID 178708271
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
112875-50-0
Standard SMILES
CC1CC(=O)c2cc3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c3cc2O1
InChIKey
XEYSRKGHOLIACK-UHFFFAOYSA-N
Molecular formula
C28H22O9
Average molar mass
502.5 g/mol
Monoisotopic mass
502.12638228

Names & identifiers

Preferred name
9-(6,8-Dihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-5,6,8-trihydroxy-2-methyl-2,3-dihydrobenzo[g]chromen-4-one
IUPAC
9-(6,8-dihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-5,6,8-trihydroxy-2-methyl-2,3-dihydrobenzo[g]chromen-4-one
English name
:[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione,2,2',3,3'-tetrahydro-5,6,6',8,8'-pentahydroxy-2,2'-diMe
Molecular formula
C28H22O9
Molecular weight
502.47

Names & synonyms

Ustilaginoidin F:[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione,2,2',3,3'-tetrahydro-5,6,6',8,8'-pentahydroxy-2,2'-diMe[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,6,6',8,8'-pentahydroxy-2,2'-dimethyl-, (9R)- (9CI)

Database identifiers

CAS
112875-50-0
PubChem CID
131844618

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
154 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
9
Rotatable bonds
1
Heavy atoms
37
Formal charge
0
Complexity
910

Physicochemical properties

Boiling point
752.3 · 752.3±60.0 °C(Predicted)
Density
1.551 · 1.551±0.06 g/cm3(Predicted)
pka
3.85 · 3.85±0.40(Predicted)

Chemistry & industry

Suppliers2 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes