(Q104962686)

English

(1S,2S,6S,7S,9R,13S,15R,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,17-trimethyl-14-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione

chemical compound

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instance of

type of chemical entity

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subclass of

12alpha-Hydroxy-13,18-dehydroparain

1 reference

based on heuristic

inferred from SMILES

mass

376.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₆

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canonical SMILES

O=C1OC2CC3C(C=C(OC)C(=O)C3(C)C4C(O)C(O)C(=C)C(C1)C24C)C

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isomeric SMILES

C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C=C(OC)C(=O)[C@]4(C)[C@@H]([C@H](O)[C@@H]1O)[C@]23C

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found in taxon

Quassia amara

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stated in

Quassinoids from Quassia amara

Identifiers

InChI

InChI=1S/C21H28O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9,11-12,14,16-18,23-24H,2,7-8H2,1,3-5H3/t9-,11+,12+,14-,16-,17-,18+,20-,21+/m1/s1

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InChIKey

CKRHSGZMMGXRKZ-FPWAFXQNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKRHSGZMMGXRKZ-FPWAFXQNSA-N

1 reference

(Q104962686)

(1S,2S,6S,7S,9R,13S,15R,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,17-trimethyl-14-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione

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