(Q104402037)

English

[(2R,3aR,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₂H₃₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

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canonical SMILES

O=C(OC1CCC(C)C2(C)CC3(C(=O)OCC3=C)C(OC(=O)C)C12)C(=CC)C

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isomeric SMILES

C=C1COC(=O)[C@]12C[C@]1(C)C(C)CCC(OC(=O)C(C)=CC)[C@@H]1C2OC(C)=O

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found in taxon

Petasites japonicus

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stated in

Structures of New Eremophilane Derivatives from the Rhizomes of Petasites japonicus MAXIM.

Identifiers

InChI

InChI=1S/C22H30O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h7,13,16-18H,4,8-11H2,1-3,5-6H3/t13?,16?,17-,18?,21-,22-/m1/s1

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InChIKey

AVAGQVZSHJYDED-LVSRKBKSSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

AVAGQVZSHJYDED-LVSRKBKSSA-N

(Q104402037)

[(2R,3aR,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 2-methylbut-2-enoate

Statements

Identifiers

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