Cassaidine structure

Cassaidine

2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate

Also Known As: Cassaidine|Cassaidine [MI]|Acetic acid, 2-((1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, (2E)-|8beta-Podocarpane-delta13,alpha-acetic acid, 3beta,7beta-dihydroxy-14alpha-methyl-, 2-(dimethylamino)ethyl ester, (E)-|2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate|2-(dimethylamino)ethyl (2E)-[(13E)-3beta,7beta-dihydroxy-14alpha-methylpodocarpan-13-ylidene]acetate|(2E)-[(1R,4aS,4bR,7S,8aR,10S,10aS)-Dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene]acetic acid 2-(dimethylamino)ethyl ester|(E)-3-beta,7-beta-dihydroxy-14-alpha-methyl-8-beta-podocarpane-delta-13,-alpha-acetic acid 2-(dimethylamino)ethyl ester|[(1R,2E,4abeta,8abeta,10aalpha)-Tetradecahydro-7alpha,10alpha-dihydroxy-1beta,4balpha,8,8-tetramethylphenanthren-2-ylidene]acetic acid 2-(dimethylamino)ethyl ester|2-(dimethylamino)ethyl (2E)-2-((1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate|2-(Dimethylamino)ethyl (2E)-2-((1R,4aS,4bR,7S,8aR,10S,10aS)-dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene)acetate|2-(DIMETHYLAMINO)ETHYL 2-[(1R,2E,4AS,4BR,7S,8AR,10S,10AS)-7,10-DIHYDROXY-1,4B,8,8-TETRAMETHYL-TETRADECAHYDROPHENANTHREN-2-YLIDENE]ACETATE|2-dimethylaminoethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate|8.beta.-Podocarpane-.delta.13,.alpha.-acetic acid, 3.beta.,7.beta.-dihydroxy-14.alpha.-methyl-, 2-(dimethylamino)ethyl ester|8.BETA.-PODOCARPANE-.DELTA.13,.ALPHA.-ACETIC ACID, 3.BETA.,7.BETA.-DIHYDROXY-14.ALPHA.-METHYL-, 2-(DIMETHYLAMINO)ETHYL ESTER, (E)-|Acetic acid, (dodecahydro-7,10-dihydroxy-1,4b,8,8-tetramethyl-2(1H)-phenanthrenylidene)-, 2-(dimethylamino)ethyl ester, [1R-(1.alpha.,2E,4a.alpha.,4b.beta.,7.beta.,8a.alpha.,10.beta.,10a.beta.)]-

CAS: 26296-41-3
Molecular Formula C24H41NO4
Molecular Weight 407.30356 g/mol
LogP 3.2479
Topological Polar Surface Area 70.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 407.30356
Monoisotopic Mass 407.30356
Heavy Atoms 29
Complexity 642.79193

Chemical Identifiers

CAS Number 26296-41-3
SMILES C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CC[C@@H](C([C@@H]3C[C@@H]2O)(C)C)O)C

Product Overview

Cassaidine (CAS 26296-41-3), with molecular formula C24H41NO4 and molecular weight 407.30356 g/mol. IUPAC: 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate.

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