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phomoxanthone A

Properties

Image

Occurences in reactions

MNX_ID

MNXM107748

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₈H₃₈O₁₆

charge

mass

750.21599

reference

chebi:66749

InChIKey

OHHXJWHRQGZQJM-ACMZUNAXSA-N

InChI

InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1

SMILES

CC(=O)OC[C@]12Oc3c(-c4ccc(O)c5c4O[C@@]4(COC(C)=O)C(=C(O)C[C@@H](C)[C@H]4OC(C)=O)C5=O)ccc(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2OC(C)=O

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:66749 chebi:66749	phomoxanthone A (5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthene-5,5'-diyl diacetate rel-[(5R,5'R,6R,6'R,10aR,10a'R)-5,5'-diacetoxy-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-10aH,10a'H-4,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate