(Q105235775)

English

methyl (1S,4S,6S,7S,9S,12R,16R)-4-(furan-3-yl)-6-methyl-2-oxo-3,15,17-trioxapentacyclo[7.5.3.01,6.07,12.012,16]heptadec-10-ene-11-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 4-(furan-3-yl)-6-methyl-2-oxo-3,15,17-trioxapentacyclo[7.5.3.01,6.07,12.012,16]heptadec-10-ene-11-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

386.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₇

0 references

canonical SMILES

O=C(OC)C1=CC2OC3OC45C(=O)OC(C6=COC=C6)CC5(C)C(C2)C13CC4

0 references

isomeric SMILES

COC(=O)C1=C[C@@H]2C[C@H]3[C@]4(C)C[C@@H](c5ccoc5)OC(=O)[C@]45CC[C@]13[C@H](O2)O5

0 references

found in taxon

Dioscorea bulbifera

1 reference

stated in

Bafoudiosbulbins F and G, further clerodane diterpenoids from Dioscorea bulbifera L. var sativa and revised structure of Bafoudiosbulbin B

Identifiers

InChI

InChI=1S/C21H22O7/c1-19-9-14(11-3-6-25-10-11)27-17(23)21(19)5-4-20-13(16(22)24-2)7-12(8-15(19)20)26-18(20)28-21/h3,6-7,10,12,14-15,18H,4-5,8-9H2,1-2H3/t12-,14+,15+,18-,19+,20+,21-/m1/s1

0 references

InChIKey

RGDBZDOPISKAIW-BRMLGXPTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGDBZDOPISKAIW-BRMLGXPTSA-N

(Q105235775)

methyl (1S,4S,6S,7S,9S,12R,16R)-4-(furan-3-yl)-6-methyl-2-oxo-3,15,17-trioxapentacyclo[7.5.3.01,6.07,12.012,16]heptadec-10-ene-11-carboxylate

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Identifiers

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