(Q105275561)

English

(1R,2R,3Z,5R,7S,9Z,11R,12S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-18-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cytochalasan alkaloid

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mass

451.272258664 dalton

1 reference

1 reference

C₂₈H₃₇NO₄

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canonical SMILES

CC1=C(C)C2C(Cc3ccccc3)NC(=O)C23C(O)C=CC(C)(O)CC(C)CC=CC3C1O

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isomeric SMILES

CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](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

Hypoxylon terricola

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stated in

Metabolites of the higher fungi. Part 24. Cytochalasin N, O, P, Q, and R. New cytochalasins from the fungus Hypoxylon terricola Mill

Phomopsis

2 references

stated in

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

stated in

Three new 10-phenyl-[11]cytochalasans, cytochalasins N, O, and P from Phomopsis sp

Identifiers

InChI

InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8-,14-13-/t17-,21-,22-,23+,24-,25+,27-,28+/m0/s1

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InChIKey

UMHVFKLUODBPSC-PXJUKTEYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UMHVFKLUODBPSC-PXJUKTEYSA-N

1 reference

(Q105275561)

(1R,2R,3Z,5R,7S,9Z,11R,12S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-18-one

Statements

Identifiers

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