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14-(2-Hydroxypentan-2-yl)-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol

HCID 72090
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Basic information

CAS
16528-17-9
Standard SMILES
C=CCN1CCC23c4c5ccc(O)c4OC2C2(OC)C=CC3(CC2[C@](C)(O)CCC)C1C5
InChIKey
OSQIRUUENNTOQL-MWFGDBNCSA-N
Molecular formula
C27H35NO4
Average molar mass
437.6 g/mol
Monoisotopic mass
437.2566086

Names & identifiers

Preferred name
14-(2-Hydroxypentan-2-yl)-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol
IUPAC
19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-prop-2-enyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol

Names & synonyms

DTXSID9093705814-(2-Hydroxypentan-2-yl)-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol16528-17-9NS0012417014-[(2R)-2-Hydroxypentan-2-yl]-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol

Database identifiers

CAS
16528-17-9
PubChem CID
72090
DTXSID
DTXSID90937058

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
62.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Formal charge
0
Complexity
830

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Compound notes

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