(4aS,6aS,13aR,13bR)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo(a)furo(3,4-i)xanthene-3,11-dione
Basic information
- CAS
87833-52-1- Standard SMILES
COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2- InChIKey
XTSSAALSNSPVIH-OCFMFRIESA-N- Molecular formula
- C25H32O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.21988874
Overview
Austalide L is a member of hydroxyisoflavans.
Names & identifiers
- Preferred name
- (4aS,6aS,13aR,13bR)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo(a)furo(3,4-i)xanthene-3,11-dione
- IUPAC
- (1S,13R,14R,19S)-19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Names & synonyms
Austalide L18K07O0VK387833-52-1DTXSID1011006662H-Benzo(a)furo(3,4-i)xanthene-3,11-dione, 1,4,4a,5,6,6a,9,13,13a,13b-decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-, (4aS,6aS,13aR,13bR)-2H-Benzo(a)furo(3,4-i)xanthene-3,11-dione, 1,4,4a,5,6,6a,9,13,13a,13b-decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-, (4as-(4aalpha,6aalpha,13aalpha,13bbeta))-(1S,13R,14R,19S)-19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione(1S,13R,14R,19S)-19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-3(11),4,9-triene-8,17-dione(4aS,6aS,13aR,13bR)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo(a)furo(3,4-i)xanthene-3,11-dione(4aS,6aS,13aR,13bR)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-4a-hydroxy-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo[a]furo[3,4-i]xanthene-3,11-dioneRefChem:1050468DTXCID901532372
Show more names
UNII-18K07O0VK3MEGxm0_000170CHEMBL4447206CHEBI:172091AT537432H-BENZO(A)FURO(3,4-I)XANTHENE-3,11-DIONE, 1,4,4A,5,6,6A,9,13,13A,13B-DECAHYDRO-4A-HYDROXY-12-METHOXY-4,4,6A,8,13B-PENTAMETHYL-, (4AS-(4A.ALPHA.,6A.ALPHA.,13A.ALPHA.,13B.BETA.))-
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 808
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