(Q104394290)

English

[(1S,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate

group of stereoisomers with the chemical formula C₃₀H₃₉NO₅

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Statements

instance of

group of stereoisomers

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subclass of

cytochalasan alkaloid

1 reference

inferred from

cytochalasan alkaloid

mass

493.28282334799997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₉NO₅

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canonical SMILES

C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O

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isomeric SMILES

C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]23C(OC(C)=O)C=C[C@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O

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found in taxon

Diaporthe

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stated in

Six new 10-pheynl-[11]cytochalasans, cytochalasins N - S from phomopsis SP.

Identifiers

InChI

InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14?/t18-,19+,23-,24-,25?,26-,27+,29-,30-/m0/s1

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InChIKey

NAEWXXDGBKTIMN-PJOAQXSBSA-N

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1 reference

26 December 2021

1 reference

(Q104394290)

[(1S,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate

Statements

Identifiers

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