(Q105202248)

English

(1R,5S,7S,8R,11R,12Z,14E,18S,20R,22S,23S,25R,28R)-8-hydroxy-11-[(1S)-1-hydroxyethyl]-7,25,28-trimethyl-20-[(2R)-oxiran-2-yl]-3,6,10,17,21,24-hexaoxahexacyclo[16.9.1.01,22.05,7.020,28.023,25]octacosa-12,14-diene-4,16-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

macrolides

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mass

562.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₁₁

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canonical SMILES

O=C1OC2CC3(OC4C5OC5(C)CCC4(COC(=O)C6OC6(C)C(O)COC(C=CC=C1)C(O)C)C23C)C7OC7

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isomeric SMILES

C[C@H](O)[C@H]1/C=C\C=C\C(=O)O[C@H]2C[C@@]3([C@H]4CO4)O[C@@H]4[C@@H]5O[C@]5(C)CC[C@]4(COC(=O)[C@H]4O[C@@]4(C)[C@H](O)CO1)[C@]23C

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found in taxon

Baccharis megapotamica

1 reference

stated in

Tumor inhibitors. 125. Isolation of potent new antileukemic trichothecenes from Baccharis megapotamica

Identifiers

InChI

InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-29(19-13-35-19)27(18,4)28(10-9-25(2)21(38-25)22(28)40-29)14-36-24(33)23-26(3,39-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6+/t15-,16+,17+,18-,19+,21-,22+,23+,25+,26-,27-,28+,29-/m0/s1

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InChIKey

OWTHOXJRXVFEKK-FXJJMNIHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWTHOXJRXVFEKK-FXJJMNIHSA-N

(Q105202248)

(1R,5S,7S,8R,11R,12Z,14E,18S,20R,22S,23S,25R,28R)-8-hydroxy-11-[(1S)-1-hydroxyethyl]-7,25,28-trimethyl-20-[(2R)-oxiran-2-yl]-3,6,10,17,21,24-hexaoxahexacyclo[16.9.1.01,22.05,7.020,28.023,25]octacosa-12,14-diene-4,16-dione

Statements

Identifiers

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