(Q104994172)

English

(1S,2'R,3'S,4R,7S,9S,10E,12E,14S,15S,16E,19R,21S)-2'-[(2S)-butan-2-yl]-9,15-dihydroxy-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

chemical compound

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instance of

type of chemical entity

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subclass of

2'-Butan-2-yl-9,15-dihydroxy-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

584.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₇

0 references

canonical SMILES

O=C1OC2CC(OC3(OC(C(C=C3)C)C(C)CC)C2)CC=C(C)C(O)C(C=CC=C(C)C4(O)CC(OC)C(=CC14)C)C

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isomeric SMILES

CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]3(O)C[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2

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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/C35H52O7/c1-9-21(2)32-24(5)15-16-34(42-32)19-28-18-27(41-34)14-13-23(4)31(36)22(3)11-10-12-26(7)35(38)20-30(39-8)25(6)17-29(35)33(37)40-28/h10-13,15-17,21-22,24,27-32,36,38H,9,14,18-20H2,1-8H3/b11-10+,23-13+,26-12+/t21-,22-,24-,27+,28-,29-,30-,31-,32+,34+,35+/m0/s1

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InChIKey

FESJRKLWENAEBD-IYUMCDNJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FESJRKLWENAEBD-IYUMCDNJSA-N

(Q104994172)

(1S,2'R,3'S,4R,7S,9S,10E,12E,14S,15S,16E,19R,21S)-2'-[(2S)-butan-2-yl]-9,15-dihydroxy-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

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Identifiers

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