(Q105115261)

English

(1S,4E,6R,10R,12E,14R,17S,18S,19S)-19-benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

19-Benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

1 reference

based on heuristic

inferred from SMILES

mass

463.272258664 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4Z,6R,10R,12Z,14S,17S,18S,19S)-19-benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4E,6R,10R,12E,14S,17S,18S,19S)-19-benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₇NO₄

0 references

canonical SMILES

CC1=CC2C=CCC(C)CCCC(O)C=CC(=O)OC23C(=O)NC(Cc2ccccc2)C3C1C

0 references

isomeric SMILES

CC1=C[C@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C

0 references

found in taxon

Boeremia exigua

1 reference

stated in

Cytochalasins from Phoma exigua var. Heteromorpha

Identifiers

InChI

InChI=1S/C29H37NO4/c1-19-9-7-13-23-17-20(2)21(3)27-25(18-22-11-5-4-6-12-22)30-28(33)29(23,27)34-26(32)16-15-24(31)14-8-10-19/h4-7,11-13,15-17,19,21,23-25,27,31H,8-10,14,18H2,1-3H3,(H,30,33)/b13-7+,16-15+/t19-,21+,23+,24+,25-,27-,29-/m0/s1

0 references

InChIKey

ILLALIWIXIHHKP-TYRQOQRGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ILLALIWIXIHHKP-TYRQOQRGSA-N

(Q105115261)

(1S,4E,6R,10R,12E,14R,17S,18S,19S)-19-benzyl-6-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

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Identifiers

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