DTXSID601019084

(6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

CAS: 1263285-59-1

Molecular Formula	`C21H30O5`
Molecular Weight	362.5 g/mol
LogP	4.2
Topological Polar Surface Area	94.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	362.20932
Heavy Atoms	26
Complexity	711.0

Chemical Identifiers

CAS Number	1263285-59-1
SMILES	`CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O`
InChIKey	`VMSLCPKYRPDHLN-NRFANRHFSA-N`

📖 Product Overview

DTXSID601019084 (CAS: 1263285-59-1) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.5 g/mol. Its IUPAC systematic name is (6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one. LogP 4.2 Topological Polar Surface Area 94.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 362.20932 Heavy Atoms 26 Complexity 711.0 InChI Key: VMSLCPKYRPDHLN-NRFANRHFSA-N. SMILES: CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O.

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