(Q104913282)

English

(12E)-16,21,32,33,36-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),20,22,26,30,33,36-tetradecaene-4,11,20,26-tetrol

chemical compound

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instance of

type of chemical entity

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subclass of

phenethylamine alkaloid

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mass

1,013.774574324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₇Br₅N₄O₈

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canonical SMILES

O=C1NCCc2ccc(O)c(c2)Oc2c(Br)cc(cc2Br)CCNC(=O)C(=NO)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)CC1=NO

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isomeric SMILES

O=C1NCCc2cc(Br)c(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CC1=NO

1 reference

1 reference

Trimeric hemibastadin congener from the marine sponge Ianthella basta

Identifiers

InChI

InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25+,43-26?

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InChIKey

AJMQODPAUXMBSS-GDRBKSGUSA-N

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(Q104913282)

(12E)-16,21,32,33,36-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),20,22,26,30,33,36-tetradecaene-4,11,20,26-tetrol

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