(Q106042226)

English

5-Oxoavermectin "2b" aglycone

chemical compound

(2S)-2-[(3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid

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Statements

type of chemical entity

0 references

chemical compound

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586.3141830519999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-Oxoavermectin "2a" aglycone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₆O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC2C(=O)OC3CC(CC=C(C)C(O)C(C)C=CC=C4COC(C1=O)C42O)OC1(C3)CC(O)C(C)C(C(C)C)O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C4\CO[C@H](C1=O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](C(C)C)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C33H46O9/c1-17(2)29-21(6)26(34)15-32(42-29)14-24-13-23(41-32)11-10-19(4)27(35)18(3)8-7-9-22-16-39-30-28(36)20(5)12-25(31(37)40-24)33(22,30)38/h7-10,12,17-18,21,23-27,29-30,34-35,38H,11,13-16H2,1-6H3/b8-7+,19-10+,22-9+/t18-,21-,23+,24-,25-,26-,27-,29+,30+,32-,33+/m0/s1

1 reference

ChEBI release 2021-03-01

XPKKFLVMJSAYAI-MEQIXVRQSA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

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ChEBI release 2021-03-01

UniChem compound ID

1 reference

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