(Q105146546)

English

(1aR,3R,3aR,4R,5R,6R,7aS)-5-acetyloxy-6-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-4-[(2R)-2-methylbutanoyl]oxy-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Acetyloxy-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-4-(2-methylbutanoyloxy)-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

574.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂O₁₀

0 references

canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C2(C)C(C(=O)O)CC3OC32C(=C)C1C4(C=CC(=O)C(C)(C)C4CC(=O)OC)C)C

0 references

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

0 references

found in taxon

Turraea pubescens

1 reference

stated in

Eight new limonoids from Turraea pubescens

Identifiers

InChI

InChI=1S/C31H42O10/c1-10-15(2)27(37)40-25-24(39-17(4)32)23(16(3)31-21(41-31)13-18(26(35)36)30(25,31)8)29(7)12-11-20(33)28(5,6)19(29)14-22(34)38-9/h11-12,15,18-19,21,23-25H,3,10,13-14H2,1-2,4-9H3,(H,35,36)/t15-,18+,19+,21-,23-,24-,25+,29+,30-,31-/m1/s1

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InChIKey

KVIVZEJTNVYLGT-NVNXDMEISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVIVZEJTNVYLGT-NVNXDMEISA-N

(Q105146546)

(1aR,3R,3aR,4R,5R,6R,7aS)-5-acetyloxy-6-[(1S,6R)-6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-4-[(2R)-2-methylbutanoyl]oxy-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid

Statements

Identifiers

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