AG00FF7C

Name: Timosaponin AI
Brand: Angene Chemical
SKU: AG00FF7C

68422-00-4 | Timosaponin AI

AG00FF7C

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CAS Number	68422-00-4
Catalog Number	AG00FF7C(AGN-PC-0WOIY5)
Chemical Name	Timosaponin AI
IUPAC Name	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
InChI	InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1
InChI Key	ZNEIIZNXGCIAAL-MYNIFUFOSA-N
MDL Number	MFCD31706225
Molecular Formula	C33H54O8
Molecular Weight	578.7771
SMILES	C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CC[C@H](C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)CC6)[H])[H])[H])[H])[H])[H]
Synonyms	TIMOSAPONIN A1, 68422-00-4, Timosaponin AI, HY-N6079, Sarsasapogenin 3-O-beta-D-galactopyranosid, CS-0032507, (25S)-3beta-(beta-D-Galactopyranosyloxy)-5beta-spirostane, ACN-047590,

Complexity	979
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	17
Defined Bond Stereocenter Count	0
Exact Mass	578.382g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	578.787g/mol
Monoisotopic Mass	578.382g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited