AG00IAVE

6147-11-1 | 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-

AG00IAVE

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CAS Number	6147-11-1
Catalog Number	AG00IAVE(AGN-PC-0T0I7F)
Chemical Name	9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-
EC Number	448-420-7
IUPAC Name	1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
InChI	InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
InChI Key	GNRIZKKCNOBBMO-UHFFFAOYSA-N
MDL Number	MFCD00135200
Molecular Formula	C24H26O6
Molecular Weight	410.4596
SMILES	O=C1C2=C(OC3=C1C(C/C=C(C)C)=C(OC)C(O)=C3)C=C(O)C(C/C=C(C)C)=C2O
UNII	U6RIV93RU1
Synonyms	alpha-mangostin, delta-mangostin, mangostin, alpha-Mangostin, Mangostin, 6147-11-1, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, Mangostine, NSC27593, NSC30552, NSC-30552, UNII-U6RIV93RU1, U6RIV93RU1, CHEMBL323197, CHEBI:67547, GNRIZKKCNOBBMO-UHFFFAOYSA-N, 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone, TNP00140, MFCD00135200, NSC 27593, NSC 30552, NSC 139154, AK105375, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, Q-100010, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3,3-dimethylallyl)xanthone, 1,3,6-Trihydroxy-7-methoxy-2,8-di(3-methyl-2-butenyl)xanthone, 1,7-bis(3-methylbut-2-enyl)-3,6,8-trihydroxy-2-methoxyxanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9H-xanthen-9-one, a-Mangostin, 9H-Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, Xanthen-9-one,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, AC1NQYTD, Mangostin, a-Mangostin, Spectrum_001726, SpecPlus_000574, Spectrum2_001620, Spectrum3_001297, Spectrum4_001911, Spectrum5_000622, 4-(4-Aminoethyl)Morpholine, BSPBio_002933, KBioGR_002529, KBioSS_002206, BIDD:ER0576, DivK1c_006670, SCHEMBL354735, SPECTRUM1504015, SPECTRUM1505128, SPBio_001659, CTK8C4814, HSDB 8103, KBio1_001614, KBio2_002206, KBio2_004774, KBio2_007342, KBio3_002153, KS-00000LYA, DTXSID00210420, ACT09245, BCP13253, HY-N0328, ZINC5430812, alpha-Mangostin, >=98% (HPLC), ANW-73224, BDBM50214969, CCG-36465, NSC-27593, NSC139154, AKOS015912806, AC-6089, CS-6435, DS-3359, MCULE-1080742368, NSC-139154, SDCCGMLS-0066796.P001, NCGC00017251-01, NCGC00017251-02, NCGC00017251-03, NCGC00017251-04, NCGC00017251-05, NCGC00095730-01, NCGC00095730-02, NCGC00095730-03, NCGC00178385-01, 4CN-1087, AJ-54080, AN-10378, SC-86167, ST057241, AX8053706, DB-053898, TR-021173, FT-0635997, M2793, N1590, N2590, ST24036751, W2645, C10080, 147M111, A833244, SR-05000002649, I14-4849, SR-05000002649-1, BRD-K11991978-001-02-6, BRD-K11991978-001-03-4, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-xanthenone, 1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2-enyl)-xanthen-9-one, 2-methoxy-1,7-bis(3-methylbut-2-enyl)-3,6,8-tris(oxidanyl)xanthen-9-one, 1,3,6-Trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one, 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-, 9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (9CI), 9H-Xanthen-9-one,1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-, Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)- (8CI), |A-mangostin, delta-mangostin, -Mangostin, |A-Mangosten, D02ZPE, D06PRC, C24H26O6, | inverted exclamation mark-MANGOSTIN, ACN-035269, CID5281650, C021053, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2- butenyl)-9H-xanthen-9-one,

Complexity	677
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	410.173g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	410.466g/mol
Monoisotopic Mass	410.173g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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