Basic information
- CAS
133806-60-7- Standard SMILES
COc1c(C(CC(C)C)OC(C)=O)ccc2c1C(=O)C1(O2)C(=O)C=C(C)C=C1CO- InChIKey
CQBZGPJDYMTTCO-UHFFFAOYSA-N- Molecular formula
- C23H26O7
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.16785316
Overview
Purpactin B is a member of benzofurans.
Names & identifiers
- Preferred name
- Purpactin B
- IUPAC
- [1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate
- English name
- purpactin B
- Molecular formula
- C23H26O7
- Molecular weight
- 414.45
Names & synonyms
Purpactin B133806-60-7[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate5-1''-Acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione(1-(1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro(1-benzofuran-2,6'-cyclohexa-1,3-diene)-5-yl)-3-methylbutyl) acetateRefChem:1773071-[2'-(hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl]-3-methylbutyl acetateorb3023135SCHEMBL7758611DTXSID40928279CHEBI:218803HY-N14648
Show more names
Spiro[benzofuran-2(3H),1'-[2,4]cyclohexadiene]-3,6'-dione, 5-[1-(acetyloxy)-3-methylbutyl]-2'-(hydroxymethyl)-4-methoxy-4'-methyl-Acetic acid 1-[4'-acetyl-2-(hydroxymethyl)-4-methyl-3',6-dioxospiro[cyclohexa-2,4-diene-1,2'(3'H)-benzofuran]-5'-yl]-3-methylbutyl ester
TN9922[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzouran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate1-[2'-(Hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxo-3H-spiro[[1]benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl]-3-methylbutyl acetate
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 780
Chemistry & industry
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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