(Q105131321)

English

[(1S,4R,8R,9R,11S,12R,13S,14S,16R,18R)-9,14-dihydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl] acetate

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

436.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₈

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canonical SMILES

O=C(OC1C(=C)C2CC(O)C3C1(C(=O)OC4CCC(C)(C)C5C(O)OC(OC)C453)C2)C

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isomeric SMILES

C=C1[C@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@H](OC)[C@@]324)[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/C23H32O8/c1-10-12-8-13(25)15-22(9-12,17(10)29-11(2)24)19(27)30-14-6-7-21(3,4)16-18(26)31-20(28-5)23(14,15)16/h12-18,20,25-26H,1,6-9H2,2-5H3/t12-,13-,14+,15+,16+,17+,18+,20-,22-,23+/m0/s1

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InChIKey

JMEJIJSRFAXZCN-QNCMIAAGSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105131321)

[(1S,4R,8R,9R,11S,12R,13S,14S,16R,18R)-9,14-dihydroxy-11-methoxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl] acetate

Statements

Identifiers

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