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CAS Number


Simarolid-4-jod-3-nitrobenzoat Acetonsolvat (C37H44INO13)

Compound Descriptions:

Structure Drawing
Molecular Weight:837.649 g/mol
Name(s):Simarolid-4-jod-3-nitrobenzoat Acetonsolvat
24-Nor-16,17-secocholane-16,23-dioic acid, 11-(acetyloxy)-7,21-dihydroxy-2-[(4-iodo-3-nitrobenzoyl)oxy]-4,8-dimethyl-1,17-dioxo-, γ-lactone δ-lactone, (2a,4a,5a,7a,11a,13a,14b,20R)-, compd. with 2-propanone (1:1)
2-Propanone, compd. with (2a,4a,5a,7a,11a,13a,14b,20R)-11-(acetyloxy)-7,21-dihydroxy-2-[(4-iodo-3-nitrobenzoyl)oxy]-4,8-dimethyl-1,17-dioxo-24-nor-16,17-secocholane-16,23-dioic acid γ-lactone δ-lactone (1:1)
Classification:no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 10ring; 12ring; 14ring; 16ring; ester; ketone; lactone; chiral; 2fragments

Landolt-Börnstein Citations:

Crystallography, Structure and Morphology

 Structure Data of Organic Crystals: Vol. III/5b 2:34-38-1, p.1234III/5b


Short: III/5b
Title: Structure Data of Organic Crystals: C 14 ... C 120
Author: Schudt, E.; Weitz, G.
Editor: Hellwege, K.-H.; Hellwege, A.M.
Source: Landolt-Börnstein, New Series
Volume: III/5b
Year: 1971
ISBN: 3-540-05177-5
ISBN: 978-3-540-05177-0
Internet Resource: DOI:10.1007/b19970
RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover
Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

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