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(4R,6R)-6-((1S,2R)-2-Hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl)-4-methoxy-6-(2-propen-1-yl)-2-cyclohexen-1-one

HCID 442908
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Basic information

CAS
64332-37-2
Standard SMILES
C=CC[C@]1([C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)C[C@@H](OC)C=CC1=O
InChIKey
JCRROBQLLRCCAV-SQKDIAQBSA-N
Molecular formula
C22H30O6
Average molar mass
390.5 g/mol
Monoisotopic mass
390.20423867

Overview

Megaphone is an aliphatic alcohol.

Names & identifiers

Preferred name
(4R,6R)-6-((1S,2R)-2-Hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl)-4-methoxy-6-(2-propen-1-yl)-2-cyclohexen-1-one
IUPAC
(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one

Names & synonyms

Megaphone64332-37-2NSC-2884088J0BV7D5N9Cytotoxic neolignan from aniba megaphylla(4R,6R)-6-[(1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one2-Cyclohexen-1-one, 6-((1S,2R)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl)-4-methoxy-6-(2-propen-1-yl)-, (4R,6R)-DTXSID80214542(4R,6R)-6-((1R,2S)-1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl)-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one(4R,6R)-6-allyl-6-((1S,2R)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl)-4-methoxy-cyclohex-2-en-1-one(4R,6R)-6-allyl-6-[(1S,2R)-2-hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-4-methoxy-cyclohex-2-en-1-oneRefChem:1050506
Show more names
DTXCID10137033(4R,6R)-6-((1S,2R)-2-Hydroxy-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl)-4-methoxy-6-(2-propen-1-yl)-2-cyclohexen-1-one(-)-MegaphoneUNII-8J0BV7D5N9Megaphone (molecule)AC1L9DMECHEBI:6720Q6808812

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
74.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
28
Formal charge
0
Complexity
547

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Compound notes

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Database identifiers

CAS
64332-37-2
PubChem CID
442908
DTXSID
DTXSID80214542
ChEBI
CHEBI:6720
UNII
8J0BV7D5N9