(Q105226578)

English

(1'S,2'R,3R,3aR,4S,5'R,9'S,9aR,9bR,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxo-4,5,9a,9b-tetrahydro-3aH-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadecan]-14'-en-4-yl acetate

group of stereoisomers with the chemical formula C₃₂H₃₆O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

548.2410181119999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₃₆O₈

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canonical SMILES

O=C1OC2C(C1=C)CCC(O)(C)C34C=CC(C)(C23)C5(C(=O)OC6C7C(C(=O)C=C7C)=C(C)CC(OC(=O)C)C65)C4

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isomeric SMILES

C=C1C(=O)O[C@@H]2C3[C@]4(C=C[C@]3(C)[C@]3(C4)C(=O)O[C@@H]4[C@@H]5C(C)=CC(=O)C5=C(C)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@H]12

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Identifiers

InChI

InChI=1S/C32H36O8/c1-14-11-19(34)21-15(2)12-20(38-17(4)33)23-25(22(14)21)40-28(36)32(23)13-31-10-9-29(32,5)26(31)24-18(7-8-30(31,6)37)16(3)27(35)39-24/h9-11,18,20,22-26,37H,3,7-8,12-13H2,1-2,4-6H3/t18-,20+,22-,23-,24+,25-,26?,29+,30-,31-,32+/m1/s1

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InChIKey

QRRHSLGZWSABSR-FDFSJKLCSA-N

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PubChem CID

163193249

1 reference

based on heuristic

inferred from InChIKey

(Q105226578)

(1'S,2'R,3R,3aR,4S,5'R,9'S,9aR,9bR,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxo-4,5,9a,9b-tetrahydro-3aH-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadecan]-14'-en-4-yl acetate

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