(Q104396593)

English

(12Z,25Z,26E,28E)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

phenethylamine alkaloid

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mass

1,011.75892426 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₅Br₅N₄O₈

0 references

canonical SMILES

O=C1NC=Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)C(=NO)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CC1=NO

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isomeric SMILES

O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N\O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O

1 reference

3 references

New bastadins from the sponge Ianthella basta

stated in

Cytotoxic metabolites from the sponge Ianthella basta collected in Papua New Guinea

stated in

Bastadin 20 and bastadin O-sulfate esters from Ianthella basta: novel modulators of the Ry1R FKBP12 receptor complex

Ianthella quadrangulata

1 reference

stated in

Cytotoxic bastadin 24 from the Australian sponge Ianthella quadrangulata

Ianthella

1 reference

stated in

Isolation of a Novel Bastadin from the Temperate Marine Sponge Ianthella Sp.

Identifiers

InChI

InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25-,43-26-

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InChIKey

YCBNAUHIFJRIQW-GLKJARMSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104396593)

(12Z,25Z,26E,28E)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

Statements

Identifiers

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