(Q105012066)

English

(1R,2S,6S,7S,10R,11S,16S,18S,19R,20R)-18-(acetyloxy)-6-(furan-3-yl)-2,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-19-yl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[19-Acetyloxy-6-(furan-3-yl)-2,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

588.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,6S,7S,10R,11S,16S,18R,19R,20R)-19-acetyloxy-6-(furan-3-yl)-2,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosan-18-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₆O₁₂

0 references

canonical SMILES

O=C(OC1C2(OC(=O)C)CC34OC2(O)C5(COC(=O)CC5C1(C)C)C4CCC6(C)C(OC(=O)CC36O)C7=COC=C7)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C(C)(C)[C@@H]2CC(=O)OC[C@@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]4(O)[C@@]24C[C@]1(OC(C)=O)[C@]3(O)O4

0 references

found in taxon

Khaya anthotheca

1 reference

stated in

Four tetranortriterpenoids from the stem bark of Khaya anthotheca

Identifiers

InChI

InChI=1S/C30H36O12/c1-15(31)39-23-24(3,4)19-10-20(33)38-14-26(19)18-6-8-25(5)22(17-7-9-37-12-17)40-21(34)11-29(25,35)27(18)13-28(23,41-16(2)32)30(26,36)42-27/h7,9,12,18-19,22-23,35-36H,6,8,10-11,13-14H2,1-5H3/t18-,19+,22+,23+,25+,26-,27-,28-,29+,30-/m1/s1

(Q105012066)

(1R,2S,6S,7S,10R,11S,16S,18S,19R,20R)-18-(acetyloxy)-6-(furan-3-yl)-2,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-19-yl acetate

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