(Q105302497)

English

(3R,10aR)-3-chloro-10a-{[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2,7-trimethyl-3H-naphtho[2,3-b]pyran-5,10-dione

group of stereoisomers with the chemical formula C₂₆H₃₂Cl₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

510.157594104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂Cl₂O₆

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canonical SMILES

O=C1C2=C(O)C(=C(O)C=C2C(=O)C3(OC(C)(C)C(Cl)C=C13)CC4C(O)(C)CCC(Cl)C4(C)C)C

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isomeric SMILES

Cc1c(O)cc2c(c1O)C(=O)C1=C[C@@H](Cl)C(C)(C)O[C@@]1(CC1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O

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found in taxon

Streptomyces

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stated in

Molecular basis for chloronium-mediated meroterpene cyclization: cloning, sequencing, and heterologous expression of the napyradiomycin biosynthetic gene cluster

Identifiers

InChI

InChI=1S/C26H32Cl2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9-10,16-18,29-30,33H,7-8,11H2,1-6H3/t16?,17-,18+,25-,26+/m0/s1

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InChIKey

WDLIKJQSDJDSIK-ZAGGJJGYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDLIKJQSDJDSIK-ZAGGJJGYSA-N

ChEBI ID

221229

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H32Cl2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9-10,16-18,29-30,33H,7-8,11H2,1-6H3/t16?,17-,18+,25-,26+/m0/s1

1 reference

Natural Product Atlas ID

NPA024670

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WDLIKJQSDJDSIK-ZAGGJJGYSA-N

(Q105302497)

(3R,10aR)-3-chloro-10a-{[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl}-6,8-dihydroxy-2,2,7-trimethyl-3H-naphtho[2,3-b]pyran-5,10-dione

Statements

Identifiers

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