(Q105128901)

English

(1R,4aS,6aS,7R,9aS)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(Chloromethyl)-4-hydroxy-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

(1S,4aR,6aR)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

Pentaleno(1,6a-c)pyran-5-carboxylic acid, 1-(chloromethyl)-1,2,4,4a,6a,7-hexahydro-1-hydroxy-7,8-dimethyl-2-oxo-, (1S-(1alpha,4aalpha,6abeta,7alpha,9aR*))-

1 reference

based on heuristic

inferred from SMILES

mass

312.076451324 dalton

1 reference

1 reference

C₁₅H₁₇ClO₅

0 references

canonical SMILES

O=C(O)C1=CC2C(C(=CC23C1COC(=O)C3(O)CCl)C)C

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isomeric SMILES

CC1=C[C@@]23[C@H](COC(=O)[C@@]2(O)CCl)C(C(=O)O)=C[C@H]3[C@H]1C

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found in taxon

Streptomyces filipinensis

1 reference

stated in

Pentalenolactone I and hygromycin A, immunosuppressants produced by Streptomyces filipinensis and Streptomyces hygroscopicus

Identifiers

InChI

InChI=1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14+,15-/m0/s1

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InChIKey

JIBVJJZCSYJNBC-GVMTXOEMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JIBVJJZCSYJNBC-GVMTXOEMSA-N

(Q105128901)

(1R,4aS,6aS,7R,9aS)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid

Statements

Identifiers

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