(Q105180173)

English

(1R,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

16-Benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione

1 reference

based on heuristic

inferred from SMILES

mass

451.272258664 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

10-Phenyl-[11]-cytochalasan B

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₇NO₄

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canonical SMILES

C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(=O)CCC(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(=O)CC[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O

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found in taxon

Daldinia concentrica

1 reference

stated in

Concentricol, a taxonomically significant triterpenoid from Daldinia concentrica

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/h5-8,10-12,17-18,21-22,24-25,31,33H,3,9,13-16H2,1-2,4H3,(H,29,32)/b12-8+/t17-,18+,21-,22-,24-,25+,27+,28+/m0/s1

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InChIKey

NJKNOVMUCDFVLS-KKOPAYBFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NJKNOVMUCDFVLS-KKOPAYBFSA-N

(Q105180173)

(1R,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione

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Identifiers

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