(Q104994016)

English

[(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icosa-3,9-dien-19-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

ring-cleaved tetranortriterpenoid

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mass

566.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₈

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canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)COC3C(O)C4(C5=C(C)C(C6=COC=C6)CC5OC=CC4C1(C)C32)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5OC=C[C@@H]4[C@]1(C)[C@@H]32

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found in taxon

Munronia pinnata

1 reference

stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C33H42O8/c1-8-17(2)30(36)41-25-14-24(40-19(4)34)31(5)16-39-27-28(31)32(25,6)23-10-12-38-22-13-21(20-9-11-37-15-20)18(3)26(22)33(23,7)29(27)35/h8-12,15,21-25,27-29,35H,13-14,16H2,1-7H3/b17-8+/t21-,22+,23-,24-,25+,27-,28+,29-,31-,32+,33-/m1/s1

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InChIKey

FELAVPUOQIPQFP-KKALZLLWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FELAVPUOQIPQFP-KKALZLLWSA-N

1 reference

(Q104994016)

[(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icosa-3,9-dien-19-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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