(Q105133641)

English

(1R,4S,5R,7S,10S,11R,12R,13S,14S,18S,20R)-7,11,14,20-tetrahydroxy-4,13,17-trimethyl-3,9-dioxapentacyclo[10.8.0.01,5.04,10.013,18]icos-16-ene-8,15-dione

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

408.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₈

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canonical SMILES

O=C1OC2C(O)C3C4(C)C(O)C(=O)C=C(C)C4CC(O)C53COC2(C)C5CC1O

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isomeric SMILES

CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@@H](O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H](O)C[C@@H]41)[C@H](O)[C@H]23

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found in taxon

Homalolepis cedron

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stated in

Cytotoxic quassinoids from Simaba cedron

Identifiers

InChI

InChI=1S/C21H28O8/c1-8-4-10(22)16(26)19(2)9(8)5-13(24)21-7-28-20(3)12(21)6-11(23)18(27)29-17(20)14(25)15(19)21/h4,9,11-17,23-26H,5-7H2,1-3H3/t9-,11-,12-,13+,14+,15+,16+,17-,19-,20-,21+/m0/s1

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InChIKey

JQRXDXNJURQDRN-JBAAVECLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JQRXDXNJURQDRN-JBAAVECLSA-N

1 reference

(Q105133641)

(1R,4S,5R,7S,10S,11R,12R,13S,14S,18S,20R)-7,11,14,20-tetrahydroxy-4,13,17-trimethyl-3,9-dioxapentacyclo[10.8.0.01,5.04,10.013,18]icos-16-ene-8,15-dione

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Identifiers

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