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Substance Name: Bryostatin 3
RN: 87370-86-3
InChIKey: BSNHYLUEHJOXFN-OSZDPWTPSA-N

Note

  • From Bugula neritina; antagonist for 12-O-tetradecanoylphorbol-13-acetate; inhibits GH(4) cell proliferation; enhances cell-substratum adhesion.

Molecular Formula

  • C46-H64-O17

Molecular Weight

  • 888.995
 
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Names and Synonyms

Name of Substance

  • Bryostatin 3

Systematic Name

  • Bryostatin 1, 35-demethoxy-22,35-epoxy-, (20R)-

Registry Numbers

CAS Registry Number

  • 87370-86-3

System Generated Number

  • 0087370863

Structure Descriptors

InChI

1S/C46H64O17/c1-9-10-11-12-13-14-37(50)61-42-33-23-40(53)60-41(33)35-24-34(26(2)47)59-39(52)21-29(49)20-31-22-36(57-27(3)48)44(6,7)45(54,62-31)25-32-18-28(19-38(51)56-8)17-30(58-32)15-16-43(4,5)46(42,55)63-35/h11-16,19,23,26,29-32,34-36,41-42,47,49,54-55H,9-10,17-18,20-22,24-25H2,1-8H3/b12-11+,14-13+,16-15-,28-19+/t26-,29-,30+,31-,32+,34?,35-,36+,41+,42-,45+,46-/m1/s1

InChIKey

BSNHYLUEHJOXFN-OSZDPWTPSA-N

Smiles

C12=CC(O[C@@H]1[C@@H]1O[C@@](O)([C@@H]2OC(\C=C\C=C\CCC)=O)C(C)(C)C=C[C@@H]2O[C@H](C[C@]3(O)O[C@@H](C[C@@H](C3(C)C)OC(C)=O)C[C@@H](O)CC(O[C@@H]([C@@H](C)O)C1)=O)C\C(=C\C(OC)=O)C2)=O