(Q105344668)

English

1,4-Dihydroxy-3-[[[(3S)-1,2,3,4,4abeta,7,8,8aalpha-octahydro-3alpha,7alpha-dimethylnaphthalen]-8alpha-yl]carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)pyridin-2(1H)-one

group of stereoisomers with the chemical formula C₂₄H₃₁NO₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

445.210052332 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₁NO₇

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canonical SMILES

O=C1C(=C(O)C(=CN1O)C2(O)CCC(O)C3OC32)C(=O)C4C(C=CC5CC(C)CCC54)C

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isomeric SMILES

C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2C(=O)c2c(O)c(C3(O)CCC(O)C4OC43)cn(O)c2=O)C1

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found in taxon

Cytospora

1 reference

stated in

A cholesteryl ester transfer protein inhibitor from an insect-associated fungus

Identifiers

InChI

InChI=1S/C24H31NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,16-17,21-22,26-27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,16?,17-,21?,22?,24?/m0/s1

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InChIKey

XYUAOFMUDNWQRJ-BIABNVDZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYUAOFMUDNWQRJ-BIABNVDZSA-N

ChEBI ID

203512

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H31NO7/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25(31)23(18)29)24(30)8-7-16(26)21-22(24)32-21/h4-5,10-14,16-17,21-22,26-27,30-31H,3,6-9H2,1-2H3/t11-,12-,13-,14-,16?,17-,21?,22?,24?/m0/s1

1 reference

Natural Product Atlas ID

NPA006475

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XYUAOFMUDNWQRJ-BIABNVDZSA-N

(Q105344668)

1,4-Dihydroxy-3-[[[(3S)-1,2,3,4,4abeta,7,8,8aalpha-octahydro-3alpha,7alpha-dimethylnaphthalen]-8alpha-yl]carbonyl]-5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)pyridin-2(1H)-one

Statements

Identifiers

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