(Q105135267)

English

[(1S,4S,8R,9R,12S,13S,14S,16S,18R)-9,14-dihydroxy-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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Statements

instance of

type of chemical entity

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subclass of

(9,14-Dihydroxy-7,7-dimethyl-17-methylidene-2-oxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-18-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

0 references

canonical SMILES

O=C(OC1C(=C)C2CC(O)C3C1(C(=O)OC4CCC(C)(C)C5C(O)OCC453)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)OC[C@]234)[C@@H]1OC(C)=O

0 references

found in taxon

Isodon henryi

1 reference

stated in

Cytotoxic ent-kaurane diterpenoids from Isodon henryi

Identifiers

InChI

InChI=1S/C22H30O7/c1-10-12-7-13(24)15-21(8-12,17(10)28-11(2)23)19(26)29-14-5-6-20(3,4)16-18(25)27-9-22(14,15)16/h12-18,24-25H,1,5-9H2,2-4H3/t12-,13+,14+,15-,16-,17-,18-,21+,22+/m1/s1

0 references

InChIKey

JUJKSMRAYVDOKO-JFRMTHNBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JUJKSMRAYVDOKO-JFRMTHNBSA-N

(Q105135267)

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

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Identifiers

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