Name | Bryostatin 1 |
Iupac Chemical Name | (2E,4E)-2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-((1R)-1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo-(21.3.1.13,7.111,15)nonacos-8-en-12-yl ester |
Synonyms | Bryostatin 1; Bryostatin-1; Bryostatin1; NSC-339555; NSC 339555; NSC339555; |
Molecular Formula | C47H68O17 |
Molecular Weight | 905.04 |
Smile | CCC/C=C/C=C/C(O[C@@H](/C(C[C@@](O1)([H])C[C@H]([C@H](O)C)O2)=C/C(OC)=O)[C@]1(O)C(C)(C)/C=C/[C@@](O3)([H])C/C(C[C@@]3([H])C[C@@](O4)(O)C(C)(C)[C@@H](OC(C)=O)C[C@@]4([H])C[C@@H](O)CC2=O)=C\C(OC)=O)=O |
InChiKey | MJQUEDHRCUIRLF-TVIXENOKSA-N |
InChi | InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1 |
CAS Number | 83314-01-6 |
Related CAS | |