(Q104962429)

English

(1S,4E,7S,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5H,6H,7H,8H,9H,10H,12aH,13H,15H,15aH,16H-oxacyclotetradeca[2,3-d]isoindol-2-one

1 reference

1 reference

479.267173284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4E,7R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4E,7R,10R,12E,14R,15S,17S,18R,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

1 reference

based on heuristic

inferred from InChI

(1S,7R,10R,14S,15S,17S,18S,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

1 reference

based on heuristic

inferred from InChI

(1S,7S,10R,14S,15S,17S,18S,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₇NO₅

0 references

canonical SMILES

C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CCC(O)CCC(C)CC=CC3C1O

0 references

isomeric SMILES

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

0 references

found in taxon

Boeremia exigua

1 reference

stated in

Cytochalasins Z4, Z5, and Z6, three new 24-Oxa[14]cytochalasans produced by Phoma exigua var. heteromorpha

Identifiers

InChI

InChI=1S/C29H37NO5/c1-18-9-7-13-23-27(33)20(3)19(2)26-24(17-21-10-5-4-6-11-21)30-28(34)29(23,26)35-25(32)14-8-12-22(31)16-15-18/h4-8,10-11,13-14,18-19,22-24,26-27,31,33H,3,9,12,15-17H2,1-2H3,(H,30,34)/b13-7+,14-8+/t18-,19+,22+,23-,24-,26-,27+,29+/m0/s1

0 references

InChIKey

CKKNSYUDGHWTMW-UOXSFWOMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104962429)

(1S,4E,7S,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-7,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione

Statements

Identifiers

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