Inophyllum A structure

Inophyllum A

(16R,17R,18S)-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

Also Known As: Inophyllum A|Inophyllum B|hydroxy-tetramethyl-phenyl-[?]one|2H,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-(10alpha,11alpha,12alpha))-|(10R,11R,12S)-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|(10R,11R,12S)-12-HYDROXY-6,6,10,11-TETRAMETHYL-4-PHENYL-6,10,11,12-TETRAHYDRO-2H-1,5,9-TRIOXATRIPHENYLEN-2-ONE|(16R,17R,18S)-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,17R,18S)-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|(2R,3S,4S)-4-Hydroxy-2,3,10,10-tetramethyl-8-phenyl-2H-pyrano[6,5-f]2H-pyrano[6,5-h]chroman-6-one|11,12-Dihydro-12alpha-hydroxy-6,6,10alpha,11alpha-tetramethyl-4-phenyl-2H,6H,10H-benzo[1,2-b:3,4-b :5,6-b ]tripyran-2-one|12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;2'',3''-h]chromen-2-one

CAS: 41135-07-3
Molecular Formula C25H24O5
Molecular Weight 404.16238 g/mol
LogP 4.1
Topological Polar Surface Area 65.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 1
Exact Mass 404.16238
Monoisotopic Mass 404.16238
Heavy Atoms 30
Complexity 749.0

Chemical Identifiers

CAS Number 41135-07-3
SMILES C[C@H]1[C@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C
InChIKey BXENDTPSKAICGV-QTCYRWPVSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Heterocyclic Building Blocks (30 patents) Pharmaceutical Intermediates (18 patents)

Product Overview

Inophyllum A (CAS 41135-07-3), with molecular formula C25H24O5 and molecular weight 404.16238 g/mol. IUPAC: (16R,17R,18S)-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.

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