(Q105223927)

English

2-[(1R,2S,4R,6S,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-12,14-dihydroxy-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(furan-3-yl)-12,14-dihydroxy-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadec-7-en-10-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

458.230453428 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₂₆H₃₄O₇

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canonical SMILES

O=C(O)CC1C2(C3=C(C)C(C4=COC=C4)CC3OC2C5OCC6(C)C(O)CC(O)C1(C)C56)C

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isomeric SMILES

CC1=C2[C@@H](C[C@@H]1c1ccoc1)O[C@@H]1[C@@H]3OC[C@]4(C)[C@H](O)C[C@H](O)[C@](C)([C@@H](CC(=O)O)[C@]21C)[C@@H]34

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found in taxon

Azadirachta indica

1 reference

stated in

Identification of nimbidic acid and nimbidinin from Azadirachta indica

Identifiers

InChI

InChI=1S/C26H34O7/c1-12-14(13-5-6-31-10-13)7-15-20(12)26(4)16(8-19(29)30)25(3)18(28)9-17(27)24(2)11-32-21(22(24)25)23(26)33-15/h5-6,10,14-18,21-23,27-28H,7-9,11H2,1-4H3,(H,29,30)/t14-,15+,16+,17+,18-,21+,22-,23+,24+,25-,26+/m0/s1

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InChIKey

QMEMRUDWBPMCGJ-NGKLVTAKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QMEMRUDWBPMCGJ-NGKLVTAKSA-N

(Q105223927)

2-[(1R,2S,4R,6S,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-12,14-dihydroxy-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetic acid

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Identifiers

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