Puupehedione

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Basic information

CAS: 151345-10-7
Standard SMILES: CC1(C)CCC[C@]2(C)C3=CC4=CC(=O)C(=O)C=C4O[C@@]3(C)CC[C@@H]12
InChIKey: QLFLHSQZFRDPFM-YYWHXJBOSA-N
Molecular formula: C21H26O3
Average molar mass: 326.4 g/mol
Monoisotopic mass: 326.18819469

Overview

Puupehedione has been reported in Spongiidae, Dysidea, and Hyrtios with data available.

Names & identifiers

Preferred name: Puupehedione
IUPAC: (4aS,6aS,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo[a]xanthene-9,10-dione

Names & synonyms

Puupehedione(4aS,6aS,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo[a]xanthene-9,10-dione(4aS,6aS,12bS)-4,4,6a,12b-Tetramethyl-1,3,4,4a,5,6,6a,12b-octahydro-2H-benzo(a)xanthene-9,10-dioneDTXSID90164766(4aS,6aS,12bS)-4,4,6a,12b-Tetramethyl-1,3,4,4a,5,6,6a,12b-octahydro-2H-benzo[a]xanthene-9,10-dione(4aS,6aS,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo(a)xanthene-9,10-dioneRefChem:177350DTXCID3087257151345-10-7CHEMBL11638752H-Benzo[a]xanthene-9,10-dione, 1,3,4,4a,5,6,6a,12b-octahydro-4,4,6a,12b-tetramethyl-, (4aS,6aS,12bS)-Puupehedinone

Show more names

(+)-PuupehedinonePuupehedinone, (+)-2B8NU9GHV3SCHEMBL30628890BDBM50320451(4aS,6aS,12bS)-1,3,4,4a,5,6,6a,12b-Octahydro-4,4,6a,12b-tetramethyl-2H-benzo[a]xanthene-9,10-dione

Database identifiers

CAS: 151345-10-7
PubChem CID: 460087
DTXSID: DTXSID90164766

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 24
Formal charge: 0
Complexity: 736

Related reactions

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Compound notes

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