(Q105111458)

English

(2S,5R,6S,7S,8R,10S,11R,12E,15R,16E)-5-(1H-indol-2-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,16,19-tetraene-3,18-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

indole alkaloid

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mass

509.26784198 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₅N₃O₃

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canonical SMILES

CC1=CC(C)CC=CC2C3OC3(C)C(C)C3C(Cc4cc5ccccc5[nH]4)NC(=O)C23c2ccc([nH]2)C1=O

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isomeric SMILES

C/C1=C\[C@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@@H]3[C@@H](Cc4cc5ccccc5[nH]4)NC(=O)[C@@]32c2ccc([nH]2)C1=O

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found in taxon

Chaetomium globosum

1 reference

stated in

Chaetoglobosin U, a cytochalasan alkaloid from endophytic Chaetomium globosum IFB-E019.

Identifiers

InChI

InChI=1S/C32H35N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(16-21-15-20-9-5-6-11-23(20)33-21)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-15,17,19,22,25,27,29,33-34H,8,16H2,1-4H3,(H,35,37)/b10-7+,18-14+/t17-,19+,22+,25-,27-,29+,31-,32+/m1/s1

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InChIKey

IDQATFGCKXEYMA-MXJHGEPBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IDQATFGCKXEYMA-MXJHGEPBSA-N

(Q105111458)

(2S,5R,6S,7S,8R,10S,11R,12E,15R,16E)-5-(1H-indol-2-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,16,19-tetraene-3,18-dione

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Identifiers

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