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Substance Name: BU 4794F
RN: 151013-36-4
InChIKey: JSBUKGAJQOVJAQ-OPRWIHDJSA-N

Note

  • Isolated from Gilmaniella; a beta-1,3-glucan synthase inhibitor.

Molecular Weight

  • 854.937
 
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Names and Synonyms

Name of Substance

  • BU 4794F

Synonym

  • BU-4794F

Registry Numbers

CAS Registry Number

  • 151013-36-4

System Generated Number

  • 0151013364

Structure Descriptors

InChI

1S/C45H58O16/c1-3-5-7-9-11-13-16-20-30(47)21-17-15-19-23-36(51)59-42-41(33(26-46)61-45(43(42)55)37-29(27-57-45)24-31(48)25-32(37)49)60-44-40(54)39(53)38(52)34(58-44)28-56-35(50)22-18-14-12-10-8-6-4-2/h7-20,22-25,30,33-34,38-44,46-49,52-55H,3-6,21,26-28H2,1-2H3/b9-7+,10-8+,13-11+,14-12+,17-15+,20-16+,22-18+,23-19+/t30?,33?,34?,38-,39-,40+,41?,42-,43+,44-,45-/m0/s1

InChIKey

JSBUKGAJQOVJAQ-OPRWIHDJSA-N

Smiles

C1O[C@]2(c3c1cc(cc3O)O)[C@H](O)[C@@H](OC(\C=C\C=C\C[C@@H](\C=C\C=C\C=C\CCC)O)=O)[C@@H]([C@@H](O2)CO)O[C@H]1[C@@H]([C@H]([C@@H](O)[C@@H](O1)COC(\C=C\C=C\C=C\CCC)=O)O)O