 Home > Encyclopedia > 2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal

2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal

2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal structure

CAS No:
94816-66-7
Formula:
C15H18O4
Chemical Name:
2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal
Synonyms:
13-Aldophomenone;UNII-08206504B0;94816-66-7;08206504B0;(+)-13-Aldophomenone;DTXSID00241633;Q27236346;(1aR)-4,5,6,7,7a,7balpha-Hexahydro-6beta-hydroxy-1aalpha-(1-formylethenyl)-7alpha,7aalpha-dimethylnaphth[1,2-b]oxiren-2(1aH)-one

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2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal Basic Attributes

Molecular Weight：

262.30 g/mol

Exact Mass：

262.12050905 g/mol

UNII：

08206504B0

DSSTox ID：

DTXSID00241633

Characteristics

PSA：

66.9 Å²

Computed Properties

Molecular Weight:262.30
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:262.12050905
Monoisotopic Mass:262.12050905
Topological Polar Surface Area:66.9
Heavy Atom Count:19
Complexity:520
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(1aR,6R,7R,7aR,7bR)-6-hydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl]prop-2-enal

Basic Attributes
Characteristics
Computed Properties

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