(Q105327589)

English

(3R,4aR,10aS)-3,4a-dichloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

group of stereoisomers with the chemical formula C₂₆H₃₃Cl₃O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

546.134271816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₃Cl₃O₆

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canonical SMILES

O=C1C2=CC(O)=C(C(O)=C2C(=O)C3(Cl)CC(Cl)C(OC13CC4C(O)(C)CCC(Cl)C4(C)C)(C)C)C

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isomeric SMILES

Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)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/C26H33Cl3O6/c1-12-14(30)9-13-18(19(12)31)21(33)25(29)11-17(28)23(4,5)35-26(25,20(13)32)10-15-22(2,3)16(27)7-8-24(15,6)34/h9,15-17,30-31,34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25-,26-/m0/s1

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InChIKey

XGGIVXWAYKZBIV-JBPAMENMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGGIVXWAYKZBIV-JBPAMENMSA-N

ChEBI ID

221222

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C26H33Cl3O6/c1-12-14(30)9-13-18(19(12)31)21(33)25(29)11-17(28)23(4,5)35-26(25,20(13)32)10-15-22(2,3)16(27)7-8-24(15,6)34/h9,15-17,30-31,34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25-,26-/m0/s1

1 reference

Natural Product Atlas ID

NPA024669

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XGGIVXWAYKZBIV-JBPAMENMSA-N

(Q105327589)

(3R,4aR,10aS)-3,4a-dichloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Statements

Identifiers

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