(Q105213273)

English

(E)-4-[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid

group of stereoisomers with the chemical formula C₃₉H₆₀O₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

704.41356274 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₀O₁₁

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canonical SMILES

O=C(O)C=CC(=O)OC1CC(O)(OC(C(C)C)C1C)C(C)C(O)C(C)C2OC(=O)C(=CC(=CC(C)C(O)C(C)CC(=CC=CC2OC)C)C)C

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isomeric SMILES

COC1/C=C/C=C(\C)CC(C)C(O)C(C)/C=C(C)/C=C(\C)C(=O)OC1C(C)C(O)C(C)C1(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O1

1 reference

1 reference

A new 16-membered tetraene macrolide JBIR-100 from a newly identified Streptomyces species.

Identifiers

InChI

InChI=1S/C39H60O11/c1-21(2)36-27(8)31(48-33(42)16-15-32(40)41)20-39(46,50-36)29(10)35(44)28(9)37-30(47-11)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-26(7)38(45)49-37/h12-16,18-19,21,24-25,27-31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,26-19+

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InChIKey

PQLOHEMXTLVMFP-NOUMOCAESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PQLOHEMXTLVMFP-NOUMOCAESA-N

ChEBI ID

221619

mapping relation type

exact match

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matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C39H60O11/c1-21(2)36-27(8)31(48-33(42)16-15-32(40)41)20-39(46,50-36)29(10)35(44)28(9)37-30(47-11)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-26(7)38(45)49-37/h12-16,18-19,21,24-25,27-31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,26-19+

1 reference

Natural Product Atlas ID

NPA024756

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PQLOHEMXTLVMFP-NOUMOCAESA-N

(Q105213273)

(E)-4-[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid

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