(Q104986106)

English

[(1aR,3S,3aR,4R,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-6-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₄H₄₄O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.298532988 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₄O₉

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canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C2(C)C(C3=COC=C3)CC4OC42C(=C)C1C5(C=CC(=O)C(C)(C)C5CC(=O)OC)C)C

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isomeric SMILES

C=C1[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CC(=O)OC)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132

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found in taxon

Turraea pubescens

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stated in

Bioactive limonoid and triterpenoid constituents of Turraea pubescens

Identifiers

InChI

InChI=1S/C34H44O9/c1-10-18(2)30(38)42-29-28(41-20(4)35)27(32(7)13-11-24(36)31(5,6)23(32)16-26(37)39-9)19(3)34-25(43-34)15-22(33(29,34)8)21-12-14-40-17-21/h11-14,17-18,22-23,25,27-29H,3,10,15-16H2,1-2,4-9H3/t18?,22-,23-,25+,27+,28+,29-,32-,33+,34+/m0/s1

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InChIKey

DONYQPIDLOHRDV-NAQGJSFCSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DONYQPIDLOHRDV-NAQGJSFCSA-N

1 reference

(Q104986106)

[(1aR,3S,3aR,4R,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-6-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylbutanoate

Statements

Identifiers

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