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Substance Name: Blattellastanoside A
RN: 149864-63-1
InChIKey: HAAIKLIMLBUYHH-YRIMARDTSA-N

Note

  • A chlorinated steroid glucoside with the 5 beta-stigmastane skeleton; aggregation pheromone from the German cockroach Blattella germanica.

Molecular Formula

  • C35-H59-Cl-O7

Molecular Weight

  • 627.297
 
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Names and Synonyms

Name of Substance

  • Blattellastanoside A

Systematic Name

  • beta-D-Glucopyranoside, (3beta,4beta,5beta,6alpha)-6-chloro-4,5-epoxystigmastan-3-yl

Registry Numbers

CAS Registry Number

  • 149864-63-1

System Generated Number

  • 0149864631

Structure Descriptors

InChI

1S/C35H59ClO7/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-21-16-27(36)35-31(43-35)25(13-15-34(35,6)24(21)12-14-33(22,23)5)41-32-30(40)29(39)28(38)26(17-37)42-32/h18-32,37-40H,7-17H2,1-6H3/t19-,20-,21?,22-,23?,24?,25?,26-,27-,28+,29+,30-,31?,32-,33-,34-,35?/m1/s1

InChIKey

HAAIKLIMLBUYHH-YRIMARDTSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@H]4[C@@H]3C[C@H]([C@@]32[C@@H]1O3)Cl)C)C