Structure

Cicloxolone

CAS
52247-86-6
Catalog Number
ACM52247866
Category
Other Products
Molecular Weight
624.853
Molecular Formula
C38H56O7

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Specification

Synonyms
Cicloxolone, Cicloxolona, Cicloxolonum, Cicloxolonum [INN-Latin], Cicloxolona [INN-Spanish], UNII-3F85I03NLO, AC1L56X5, (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, 52247-86-6
IUPAC Name
(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C
InChI Key
IPIHZIYZLLMCRF-OLYGVESYSA-N
Boiling Point
720.8ºC at 760mmHg
Flash Point
216.4ºC
Density
1.19g/cm³
Exact Mass
624.40300
H-Bond Acceptor
7
H-Bond Donor
2
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