Basic information
- CAS
152187-38-7- Standard SMILES
C[C@@H]1[C@@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H]1O)OC(C)(C)C=C3- InChIKey
BXENDTPSKAICGV-ZMOMAAQPSA-N- Molecular formula
- C25H24O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.16237386
Overview
Inophyllum P has been reported in Calophyllum inophyllum with data available.
Names & identifiers
- Preferred name
- Inophyllum P
- IUPAC
- (16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
- English name
- 11,12-Dihydro-12α-hydroxy-6,6,10α,11α-tetramethyl-4-phenyl-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
- Molecular formula
- C25H24O5
- Molecular weight
- 404.46
Names & synonyms
Inophyllum P(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-oneRefChem:923440Soullatrolide152187-38-7CHEMBL422798(3S,2R,4R)-4-Hydroxy-2,3,10,10-tetramethyl-8-phenyl-2H-pyrano(6,5-f)2H-pyrano(6,5-h)chroman-6-onehydroxy-tetramethyl-phenyl-[?]oneSCHEMBL2038701DTXSID9016496812-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;2'',3''-h]chromen-2-one
Show more names
11,12-Dihydro-12α-hydroxy-6,6,10α,11α-tetramethyl-4-phenyl-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-, (10R,11S,12R)-
BDBM50029987(10R,11S,12R)-12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one(2R,3R,4R)-4-Hydroxy-2,3,10,10-tetramethyl-8-phenyl-2H-pyrano[6,5-f]2H-pyrano[6,5-h]chroman-6-one
Database identifiers
- CAS
152187-38-7- PubChem CID
- 455249
- DTXSID
DTXSID90164968- ChEMBL
CHEMBL422798- Nikkaji
- J239.381F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- Melting point
- 102 · 102-105 °C
- Boiling point
- 564.7 · 564.7±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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