(Q110186411)

English

(1'S,3'S,4E,5'R,8'S,9'S,12'R)-2',12'-dihydroxy-4-(2-hydroxy-1-methoxyethylidene)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

group of stereoisomers with the chemical formula C₂₁H₂₈O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

440.16824709599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈O₁₀

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canonical SMILES

O=C1OC2(CC1=C(OC)CO)C3OC3C4(O)C5C(=O)OC(C(OC)C42C)C5(O)C(C)C

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isomeric SMILES

CO/C(CO)=C1\CC2(OC1=O)[C@@H]1O[C@@H]1C1(O)[C@H]3C(=O)O[C@@H]([C@@H](OC)C12C)[C@@]3(O)C(C)C

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Identifiers

InChI

InChI=1S/C21H28O10/c1-8(2)20(25)11-17(24)30-14(20)12(28-5)18(3)19(13-15(29-13)21(11,18)26)6-9(16(23)31-19)10(7-22)27-4/h8,11-15,22,25-26H,6-7H2,1-5H3/b10-9+/t11-,12+,13+,14-,15-,18?,19?,20+,21?/m0/s1

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InChIKey

OZKNMGZZFOYTHQ-HHEBLQJKSA-N

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PubChem CID

11969880

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OZKNMGZZFOYTHQ-HHEBLQJKSA-N

1 reference

(Q110186411)

(1'S,3'S,4E,5'R,8'S,9'S,12'R)-2',12'-dihydroxy-4-(2-hydroxy-1-methoxyethylidene)-12'-isopropyl-8'-methoxy-7'-methyl-4',10'-dioxaspiro[oxolane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecane]-5,11'-dione

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