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2-(4,5-dimethyl-1,3-thiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

Systemtic Name:2-(4,5-dimethyl-1,3-thiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
Openeye Name:2-(4,5-dimethylthiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
CAS Name:2-(4,5-dimethyl-2-thiazolyl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
IUPAC Name:2-(4,5-dimethyl-1,3-thiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
Traditional Name:2-(4,5-dimethylthiazol-2-yl)-4a-ethyl-3-methyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
Formula: C22H29NO3S
MolecularWeight: 387.53556
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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=NC(=C(S4)C)C)O)(C)O


Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=NC(=C(S4)C)C)O)(C)O


InChI

InChI=1S/C22H29NO3S/c1-5-21-12-20(4,25)22(26,19-23-13(2)14(3)27-19)11-16(21)7-6-15-10-17(24)8-9-18(15)21/h8-10,16,24-26H,5-7,11-12H2,1-4H3


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