(Q115971052)

English

(1aS,2R,2aR,5S,5aR,6S,6aR)-2a-(4-hydroxybutanoyl)-2-[(1E,5E)-7-hydroxy-4,6-dimethylhepta-1,5-dienyl]-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-3-one

group of stereoisomers with the chemical formula C₃₂H₄₂N₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

534.309372444 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂N₂O₅

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canonical SMILES

O=C1NC(CC2=CNC=3C=CC=CC32)C4C(C)C5(OC5C(C=CCC(C=C(C)CO)C)C14C(=O)CCCO)C

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isomeric SMILES

C/C(=C\C(C)C/C=C/[C@H]1[C@@H]2O[C@]2(C)[C@@H](C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]21C(=O)CCCO)CO

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found in taxon

Chaetomium globosum

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stated in

Armochaetoglobins A–J: Cytochalasan Alkaloids from Chaetomium globosum TW1-1, a Fungus Derived from the Terrestrial Arthropod Armadillidium vulgare

Identifiers

InChI

InChI=1S/C32H42N2O5/c1-19(15-20(2)18-36)9-7-11-24-29-31(4,39-29)21(3)28-26(16-22-17-33-25-12-6-5-10-23(22)25)34-30(38)32(24,28)27(37)13-8-14-35/h5-7,10-12,15,17,19,21,24,26,28-29,33,35-36H,8-9,13-14,16,18H2,1-4H3,(H,34,38)/b11-7+,20-15+/t19?,21-,24-,26-,28-,29-,31+,32+/m0/s1

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InChIKey

JMGPVMSKBDXINI-BCSZRQCSSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

JMGPVMSKBDXINI-BCSZRQCSSA-N

1 reference

(Q115971052)

(1aS,2R,2aR,5S,5aR,6S,6aR)-2a-(4-hydroxybutanoyl)-2-[(1E,5E)-7-hydroxy-4,6-dimethylhepta-1,5-dienyl]-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-1a,2,4,5,5a,6-hexahydrooxireno[2,3-f]isoindol-3-one

Statements

Identifiers

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