(Q105346804)

English

[(1S,2R,4R,8S,9R,13S,17S)-17-formyl-8-hydroxy-10,10-dimethyl-3-methylidene-15-oxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadec-6(16)-en-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

402.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₇

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canonical SMILES

O=CC12C3=C4OC(O)C1C(C)(C)CCC2OC(=O)C35CC(C(=C)C5OC(=O)C)C4

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isomeric SMILES

C=C1[C@H]2CC3=C4[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@@H]([C@@H](O)O3)[C@]42C=O)[C@@H]1OC(C)=O

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found in taxon

Isodon rosthornii

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stated in

Bioactive ent-kaurane diterpenoids from Isodon rosthornii

Identifiers

InChI

InChI=1S/C22H26O7/c1-10-12-7-13-15-21(8-12,17(10)27-11(2)24)19(26)29-14-5-6-20(3,4)16(18(25)28-13)22(14,15)9-23/h9,12,14,16-18,25H,1,5-8H2,2-4H3/t12-,14-,16+,17+,18-,21-,22-/m0/s1

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InChIKey

YDLGPWCVDZTIJF-DLGWOVIDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YDLGPWCVDZTIJF-DLGWOVIDSA-N

1 reference

(Q105346804)

[(1S,2R,4R,8S,9R,13S,17S)-17-formyl-8-hydroxy-10,10-dimethyl-3-methylidene-15-oxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadec-6(16)-en-2-yl] acetate

Statements

Identifiers

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