AG01EOMP

Name: INT-777 (R-enantiomer)
Brand: Angene Chemical
SKU: AG01EOMP

1198786-98-9 | INT-777 (R-enantiomer)

AG01EOMP

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CAS Number	1198786-98-9
Catalog Number	AG01EOMP(AGN-PC-3H46FO)
Chemical Name	INT-777 (R-enantiomer)
IUPAC Name	4-[(5S,8R,9R,10S,13R,14S)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
InChI	InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14?,15?,16?,17?,18?,19-,20-,21+,22?,23-,24?,26-,27+/m0/s1
InChI Key	NPBCMXATLRCCLF-GTHSXSRQSA-N
MDL Number	MFCD30536210
Molecular Formula	C27H46O5
Molecular Weight	450.6511
SMILES	C1C[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@H]([C@H](C)C[C@@H](C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]2([H])C[C@@H]1O
Synonyms	INT-777 R-enantiomer, 1198786-98-9,

Complexity	710
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	450.335g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	450.66g/mol
Monoisotopic Mass	450.335g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	98A^2
Undefined Atom Stereocenter Count	7
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