(Q104993247)

English

methyl (2R)-2-[(1S,2R,5R,6R,11R,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]-2-hydroxyacetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

500.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₉

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C4(O)CC5C(=O)C(C)(C)C(C(O)C(=O)OC)C(C5=O)(C)C4CC3)C

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)[C@@H]2C[C@]3(O)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O

0 references

found in taxon

Khaya anthotheca

1 reference

stated in

Four tetranortriterpenoids from the stem bark of Khaya anthotheca

Identifiers

InChI

InChI=1S/C27H32O9/c1-24(2)19(18(29)23(32)34-5)26(4)15-6-8-25(3)16(27(15,33)11-14(20(24)30)21(26)31)10-17(28)36-22(25)13-7-9-35-12-13/h7,9-10,12,14-15,18-19,22,29,33H,6,8,11H2,1-5H3/t14-,15+,18+,19-,22-,25+,26+,27+/m0/s1

0 references

InChIKey

FCNXONSFUSUPIZ-JPJIMROCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FCNXONSFUSUPIZ-JPJIMROCSA-N

(Q104993247)

methyl (2R)-2-[(1S,2R,5R,6R,11R,13S,16S)-6-(furan-3-yl)-11-hydroxy-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]-2-hydroxyacetate

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