4,4a,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydro-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol

HCID 155233

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Basic information

CAS: 69353-22-6
Standard SMILES: Cc1cc(O)c2c(c1)OC1(C)CCC3(C)C(C)CCCC34COC2C14
InChIKey: ZRYSTCPCSAHYEO-UHFFFAOYSA-N
Molecular formula: C22H30O3
Average molar mass: 342.5 g/mol
Monoisotopic mass: 342.21949481

Names & identifiers

Preferred name: 4,4a,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydro-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol
IUPAC: 8,12,15,16-tetramethyl-3,11-dioxapentacyclo[10.7.1.01,15.04,20.05,10]icosa-5,7,9-trien-6-ol

Names & synonyms

69353-22-6DTXSID609891054,4a,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydro-13H-benzo(a)furo(2,3,4-mn)xanthen-11-ol4,4a,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydro-13H-benzo[a]furo[2,3,4-mn]xanthen-11-olRefChem:1069354DTXCID901416235BH 34SI 235481,2,3,4,4a,5,6,6a,11b,13b-Decahydro-4,4,6a,9-tetramethyl-13H-benzo(a)furo(2,3,4-mn)xanthenol13H-Benzo(a)furo(2,3,4-mn)xanthen-11-ol, 1,2,3,4,4a,5,6,6a,11b,13b-decahydro-4,4a,6a,9-tetramethyl-

Database identifiers

CAS: 69353-22-6
PubChem CID: 155233
DTXSID: DTXSID60989105

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 25
Formal charge: 0
Complexity: 563

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