(Q105009446)

English

(5aR,10aS)-1,3,8,10a-tetrahydroxy-2-[(1R,9R)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(5,6-Dihydro-9-hydroxy-2-methyl-2,6-methano-2H-1-benzoxocin-4-yl)-5a,10a-dihydro-1,3,8,10a-tetrahydroxy-5a-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one

1 reference

based on heuristic

inferred from SMILES

mass

570.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₀O₉

0 references

canonical SMILES

O=C1C=2C(O)=C(C(O)=CC2OC3(C4=CC=C(O)C=C4OC13O)CC=C(C)C)C5=CC6(OC7=CC(O)=CC=C7C(C5)C6)C

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isomeric SMILES

CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12

0 references

found in taxon

Morus cathayana

1 reference

stated in

Cytotoxic flavonoids with isoprenoid groups from Morus mongolica

Identifiers

InChI

InChI=1S/C33H30O9/c1-16(2)8-9-32-22-7-5-20(35)12-25(22)42-33(32,39)30(38)28-26(41-32)13-23(36)27(29(28)37)18-10-17-14-31(3,15-18)40-24-11-19(34)4-6-21(17)24/h4-8,11-13,15,17,34-37,39H,9-10,14H2,1-3H3/t17-,31-,32-,33-/m1/s1

0 references

InChIKey

GJKQLIDFFREHGO-SPTKHGMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJKQLIDFFREHGO-SPTKHGMHSA-N

(Q105009446)

(5aR,10aS)-1,3,8,10a-tetrahydroxy-2-[(1R,9R)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

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