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AG00G2S7

Name: Quassin
Brand: Angene Chemical
SKU: AG00G2S7

76-78-8 | Quassin

Chemical structure of Quassin, CAS 76-78-8

AG00G2S7

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CAS Number	76-78-8
Catalog Number	AG00G2S7(AGN-PC-0WAEZ8)
Chemical Name	Quassin
EC Number	200-985-9
IUPAC Name	(1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
InChI	InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
InChI Key	IOSXSVZRTUWBHC-LBTVDEKVSA-N
MDL Number	MFCD00273126
Molecular Formula	C22H28O6
Molecular Weight	388.4541
SMILES	C[C@]12[C@]3([C@]4(C)[C@@](C[C@]1(OC(=O)C[C@]2(C(C)=C(OC)C3=O)[H])[H])([C@H](C)C=C(OC)C4=O)[H])[H]
UNII	QP1YAK6QGK
Synonyms	quassin, quassin, 76-78-8, Quassine, UNII-QP1YAK6QGK, QP1YAK6QGK, CHEBI:8692, Nigakilactone D, Picrasa-2,12-diene-1,11,16-trione, 2,12-dimethoxy-, (3AS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo(de,g)chromene-1,5,11-trione, SR-05000002312, NSC36342, EINECS 200-985-9, NSC 36342, AC1L23IQ, AC1Q47AX, AC1Q6D7E, SCHEMBL140454, 2,12-Dimethoxypicrasa-2,12-diene-1,11,16-trione, CHEMBL517016, dimethoxy(tetramethyl)[?]trione, ZINC3978633, AKOS032948714, CCG-208319, LMPR0106110002, 4CN-2144, CC-34141, C08778, C-21503, SR-05000002312-2, SR-05000002312-3, Picrasa-2,12-diene-1,11,16-trione,2,12-dimethoxy-, (3aS,6aR,7aS,8S,11aS,11bS,11cS) -1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c- tetramethyldibenzo[de,g]chromene-1,5,11-trione, C22H28O6, CID65571, ACN-035479, C22-H28-O6, (3aS, 6aR, 7aS, 8S, 11aS, 11bS, 11cS)- 1, 3a, 4, 5, 6a, 7, 7a, 8, 11, 11a, 11b, 11c- dodecahydro- 2, 10- dimethoxy- 3, 8, 11a, 11c- tetramethyldibenzo[de, g]chromene- 1, 5, 11- trione, (3aS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo[de,g]chromen-1,5,11-trion, (3aS,6aR,7aS,8S,11aS,11bS,11cS)-1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c-tetramethyldibenzo[de,g]chromene-1,5,11-trione,

Complexity	838
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	388.189g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	388.46g/mol
Monoisotopic Mass	388.189g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H319-H332
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited