(Q105368810)

English

(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.05,7]icosa-3,13-diene-12,18-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8-Hydroxy-10-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.05,7]icosa-3,13-diene-12,18-dione

1 reference

based on heuristic

inferred from SMILES

mass

595.3145174 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₅NO₈

0 references

canonical SMILES

O=C1OC(CC(O)C2(OC2C=CC(C)C3OC(=O)CC(CC=C1)C3)C)C(C)C(O)C(=CC=CC(=CC=4N=C(OC4)C)C)C

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isomeric SMILES

CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2)=C\c1coc(C)n1

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found in taxon

Rhizopus microsporus var. microsporus

1 reference

stated in

Studies on macrocyclic lactone antibiotics. IX. Novel macrolides from the fungus Rhizopus chinensis: Precursors of rhizoxin.

Identifiers

InChI

InChI=1S/C34H45NO8/c1-20(15-26-19-40-24(5)35-26)9-7-10-22(3)33(39)23(4)28-18-29(36)34(6)30(43-34)14-13-21(2)27-16-25(17-32(38)41-27)11-8-12-31(37)42-28/h7-10,12-15,19,21,23,25,27-30,33,36,39H,11,16-18H2,1-6H3/b9-7+,12-8+,14-13+,20-15+,22-10+/t21-,23+,25-,27-,28+,29+,30-,33+,34-/m1/s1

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InChIKey

YYOFGNLECBTAMN-RSIKLJMGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YYOFGNLECBTAMN-RSIKLJMGSA-N

1 reference

NMRShiftDB structure ID

20177551

1 reference

matched by identifier from

InChIKey

YYOFGNLECBTAMN-RSIKLJMGSA-N

(Q105368810)

(1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.05,7]icosa-3,13-diene-12,18-dione

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Identifiers

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