AG00AE6N

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

Request For Quotation

CAS Number	18609-16-0
Catalog Number	AG00AE6N(AGN-PC-0QF2ED)
Chemical Name	Deacetylnimbin
IUPAC Name	methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-13-(furan-3-yl)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate
InChI	InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1
InChI Key	CTBHKOAPXBDFPX-PQYHCQQJSA-N
MDL Number	MFCD26406043
Molecular Formula	C28H34O8
Molecular Weight	498.5648
SMILES	C[C@]12[C@H](CC(OC)=O)[C@]3(C)[C@@]([C@@H](O)[C@]1(O[C@]4(C2=C(C)[C@@H](C4)C=5C=COC5)[H])[H])([C@@](C(OC)=O)(C)C=CC3=O)[H]
Synonyms	deacetylnimbin, Deacetylnimbin, 6-Deacetylnimbin, 6-Desacetylnimbin, 18609-16-0, Desacetyl Nimbin, Desacetylnimbin, CHEBI:67305, nimbic acid dimethyl ester, (+)-Desacetylnimbin, CHEMBL1774398, ZINC8382509, 9308AF, AKOS032948232, 4CN-0472, (4\|A,5\|A,6\|A,7\|A,15\|A,17\|A)-7,15:21,23-Diepoxy-6-hydroxy-4,8-dimethyl-1-oxo- 18,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic Acid Dimethyl Ester, methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-2-(furan-3-yl)-5-hydroxy-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate, Nimbic acid, dimethyl ester, C28H34O8, ZINC08382509, CID10505484,

Complexity	1050
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	498.225g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	498.572g/mol
Monoisotopic Mass	498.225g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

Product Recommendations

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