(Q105003708)

English

(2,3,15-Triacetyloxy-5,5,9-trimethyl-14-methylidene-6-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadec-7-enyl) acetate

group of stereoisomers with the chemical formula C₂₈H₃₆O₉

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Statements

group of stereoisomers

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kaurane diterpenoid

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kaurane diterpenoid

516.5811 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₉

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canonical SMILES

O=C(OC1C(=C)C2CC(OC(=O)C)C3C4(C=CC(=O)C(C)(C)C4C(OC(=O)C)C(OC(=O)C)C13C2)C)C

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Identifiers

InChI=1S/C28H36O9/c1-13-18-11-19(34-14(2)29)22-27(8)10-9-20(33)26(6,7)23(27)21(35-15(3)30)25(37-17(5)32)28(22,12-18)24(13)36-16(4)31/h9-10,18-19,21-25H,1,11-12H2,2-8H3

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FWXWTEBWYMMHBZ-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FWXWTEBWYMMHBZ-UHFFFAOYSA-N

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