Sabadine

[(1R,2S,6S,9S,10R,11S,12S,14R,15R,18S,19S,20S,23R,24S)-1,10,11,12,14,19-hexahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl] acetate

Also Known As: Sabadine|Sabatine|Sabadin|d-Camphoric acid|SABADINE [MI]|EINECS 204-714-5|[(1R,2S,6S,9S,10R,11S,12S,14R,15R,18S,19S,20S,23R,24S)-1,10,11,12,14,19-hexahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl] acetate|Cevane-3,4,12,14,16,17,20-heptol, 3-acetate, (3beta,4alpha,16-beta)-|Cevane-3beta,4alpha,12,14,16beta,17,20-heptol 3-acetate|CEVANE-3,4,12,14,16,17,20-HEPTOL, 3-ACETATE, (3.BETA.,4.ALPHA.,16.BETA.)-|(3S,4S,4aS,6aR,6bR,8S,8aS,9R,9aS,12S,15aS,15bR,16aS,16bR)-4,6b,8,8a,9,15b-hexahydroxy-9,12,16b-trimethyltetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-3-yl acetate|3beta-Acetyloxycevane-4alpha,12alpha,14alpha,16beta,17alpha,20beta,-hexaol|3beta-Acetyloxycevane-4alpha,12alpha,14alpha,16beta,17alpha,20beta-hexol|Cevane-3,4,12,14,16,17,20-heptol, 3-acetate, (3.beta.,4.alpha.,16-.beta.)-|CEVANE-3,4,12,14,16,17,20-HEPTOL, 3-ACETATE, (3BETA,4ALPHA,16BETA)-|(1R,2S,6S,9S,10R,11S,12S,14R,15R,18S,19S,20S,23R,24S)-1,10,11,12,14,19-hexahydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl acetate|204-714-5

Molecular Formula	C29H47NO8
Molecular Weight	537.33014 g/mol
LogP	0.56
Topological Polar Surface Area	150.92 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	1
Exact Mass	537.33014
Heavy Atoms	38
Complexity	991.6

Chemical Identifiers

CAS Number	124-80-1
SMILES	C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@@H]6[C@@H]([C@H](CC[C@@]6([C@H]5C[C@]4([C@@H]3CN2C1)O)C)OC(=O)C)O)O)O)O)(C)O