(Q77280294)

English

4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy avermectin A1a

bioactive natural product

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Statements

instance of

type of chemical entity

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subclass of

2'-Butan-2-yl-9-hydroxy-15-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-7-methoxy-3',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,6'-2,3-dihydropyran]-3-one

1 reference

based on heuristic

inferred from SMILES

mass

728.449948248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₄O₁₀

0 references

canonical SMILES

O=C1OC2CC(OC3(OC(C(C=C3)C)C(C)CC)C2)CC=C(C)C(OC4OC(C)C(O)C(OC)C4)C(C=CC=C(C)C5(O)CC(OC)C(=CC15)C)C

0 references

isomeric SMILES

CCC(C)C1OC2(C=CC1C)CC1CC(C/C=C(/C)C(OC3CC(OC)C(O)C(C)O3)C(C)/C=C\C=C(\C)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2

1 reference

based on heuristic

inferred from InChI

found in taxon

Streptomyces avermitilis

1 reference

stated in

Production of a new methylated 6,8a-seco-6,8a-deoxy derivative of the avermectins by a transformant strain of Streptomyces avermitilis.

Identifiers

InChI

InChI=1S/C42H64O10/c1-11-24(2)39-27(5)17-18-41(52-39)22-32-20-31(51-41)16-15-26(4)38(50-36-21-34(46-9)37(43)30(8)48-36)25(3)13-12-14-29(7)42(45)23-35(47-10)28(6)19-33(42)40(44)49-32/h12-15,17-19,24-25,27,30-39,43,45H,11,16,20-23H2,1-10H3/b13-12-,26-15-,29-14-

0 references

InChIKey

CAJDUHQNQRQATN-RINIZTRGSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

139584157

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

CAJDUHQNQRQATN-RINIZTRGSA-N

ChEBI ID

200836

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C42H64O10/c1-11-24(2)39-27(5)17-18-41(52-39)22-32-20-31(51-41)16-15-26(4)38(50-36-21-34(46-9)37(43)30(8)48-36)25(3)13-12-14-29(7)42(45)23-35(47-10)28(6)19-33(42)40(44)49-32/h12-15,17-19,24-25,27,30-39,43,45H,11,16,20-23H2,1-10H3/b13-12-,26-15-,29-14-

1 reference

Natural Product Atlas ID

NPA003818

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CAJDUHQNQRQATN-RINIZTRGSA-N

(Q77280294)

4'-Deoleandrosyl-6,8a-seco-6,8a-deoxy avermectin A1a

Statements

Identifiers

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