(Q105382056)

English

(1R,2S,3R,5S,8R,9R,10S,11S,12R)-8,10-dihydroxy-13,13-dimethyl-7-methylidene-4,18-dioxahexacyclo[8.6.2.1⁶,⁹.0¹,¹².0²,⁹.0³,⁵]nonadecan-11-yl acetate

group of stereoisomers with the chemical formula C₂₂H₃₀O₆

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Statements

group of stereoisomers

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kaurane diterpenoid

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kaurane diterpenoid

390.2042386799999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₀O₆

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canonical SMILES

O=C(OC1C2C(C)(C)CCCC32COC1(O)C45CC(C(=C)C4O)C6OC6C35)C

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isomeric SMILES

C=C1C2C[C@@]3([C@@H]([C@H]4O[C@@H]24)[C@]24CCCC(C)(C)[C@H]2[C@H](OC(C)=O)[C@@]3(O)OC4)[C@@H]1O

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Identifiers

InChI=1S/C22H30O6/c1-10-12-8-21(17(10)24)15(14-13(12)28-14)20-7-5-6-19(3,4)16(20)18(27-11(2)23)22(21,25)26-9-20/h12-18,24-25H,1,5-9H2,2-4H3/t12?,13-,14-,15-,16+,17+,18-,20+,21+,22+/m0/s1

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ZRKVMXWMNDIJCN-JGRCEFQDSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZRKVMXWMNDIJCN-JGRCEFQDSA-N

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