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phomoxanthone B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66750

A member of the class of xanthones that is a dimer isolated from Phomopsis. It exhibits cytotoxic, antimalarial and antitubercular activities.

Term info

Label

phomoxanthone B

Synonyms
  • (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-2,4'-bixanthene-5,5'-diyl diacetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(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-2,4'-bixanthene-5,5'-diyl diacetate [ IUPAC ]

charge

0

formula

C38H38O16

has obo namespace

chebi_ontology

has related synonym

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-2,4'-bixanthene-10a,10a'-diyl]bis(methylene) diacetate

id

CHEBI:66750

inchi

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

inchikey

RAKGKFLUJPUROQ-ACMZUNAXSA-N

mass

750.69870

monoisotopicmass

750.21599

smiles

C[C@@H]1CC(O)=C2C(=O)c3c(O[C@]2(COC(C)=O)[C@@H]1OC(C)=O)ccc(c3O)-c1ccc(O)c2C(=O)C3=C(O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]3(COC(C)=O)Oc12