(Q72448854)

English

Aplysistatin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one

1 reference

based on heuristic

inferred from SMILES

(3aR,4aS,7S,8aS)-7-Bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-furo[3,4-b][1]benzoxepin-1(3H)-one

1 reference

based on heuristic

inferred from SMILES

mass

328.067406632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5aR,7S,9aS,10aR)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₁BrO₃

0 references

canonical SMILES

O=C1OCC2OC3(C)CCC(Br)C(C)(C)C3CC=C12

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isomeric SMILES

CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@@H]12

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found in taxon

Laurencia intricata

1 reference

stated in

New Sesquiterpenes and C15Acetogenins from the Marine Red Alga Laurencia implicata

Laurencia flexilis

1 reference

stated in

Five New Sesquiterpenes from the Red Alga Laurencia flexilis

Laurencia

3 references

stated in

New bromoterpenes from the red alga Laurencia luzonensis

stated in

Terpenoids from Laurencia karlae

stated in

Terpenoids from Laurencia karlae

Aplysia argus

1 reference

stated in

Isolation and structure of angasiol

Laurencia filiformis

1 reference

stated in

Sesquiterpene metabolites from laurencia filiformis

Laurencia saitoi

1 reference

stated in

Sesquiterpenes from the Marine Red AlgaLaurencia saitoi

Laurencia similis

1 reference

stated in

Sesquiterpenes from Laurencia similis.

Laurencia dendroidea

1 reference

stated in

Sesquiterpene metabolites from laurencia filiformis

Identifiers

InChI

InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3/t10-,11-,12-,15-/m0/s1

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InChIKey

BEMNKPXNGWTBLQ-ASHKBJFXSA-N

0 references

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BEMNKPXNGWTBLQ-ASHKBJFXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

BEMNKPXNGWTBLQ-ASHKBJFXSA-N

DSSTOX compound identifier

DTXCID20133546

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NSC number

267711

0 references

(Q72448854)

Aplysistatin

Statements

Identifiers

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