(Q105161790)

English

(1S,4E,7S,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

20-Benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

1 reference

based on heuristic

inferred from SMILES

mass

479.267173284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4E,7R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,4E,7S,10R,12E,14R,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₇NO₅

0 references

canonical SMILES

CC1CC=CC2C3OC3(C)C(C)C3C(Cc4ccccc4)NC(=O)C23OC(=O)C=CCC(O)CC1

0 references

isomeric SMILES

C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)/C=C/C[C@@H](O)CC1

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

0 references

InChIKey

MDJGLFFJLUGHOF-ORHJENHISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MDJGLFFJLUGHOF-ORHJENHISA-N

(Q105161790)

(1S,4E,7S,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-7-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

Statements

Identifiers

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