(Q104398808)

English

(1S,4Z,6R,10R,12Z,14S,15S,17R,18S,19S,20S)-20-benzyl-6-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

subclass of

20-Benzyl-6-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

(4E,12E)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

1 reference

based on heuristic

inferred from SMILES

mass

479.267173284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4E,6R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-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 InChIKey

(1S,4E,6S,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-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

2 references

inferred from InChIKey

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=CC(O)CCC1

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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@H](O)CCC1

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found in taxon

Boeremia exigua

1 reference

stated in

Cytochalasins from Phoma exigua var. Heteromorpha

Geniculosporium

1 reference

stated in

Geniculol, a new biologically active diterpene from the endophytic fungus geniculosporium sp.1

Identifiers

InChI

InChI=1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8-,16-15-/t18-,19+,21-,22+,23+,25+,26+,28-,29-/m1/s1

0 references

InChIKey

CXWYFIYZAZBQGQ-VDFYKGNDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CXWYFIYZAZBQGQ-VDFYKGNDSA-N

1 reference

(Q104398808)

(1S,4Z,6R,10R,12Z,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione

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Identifiers

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