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Substance Name: Bryostatin 13
RN: 107021-11-4
InChIKey: UYHQBUSZLQOCRF-OYLGSXELSA-N

Molecular Formula

  • C41-H62-O15

Molecular Weight

  • 794.9258
 
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Names and Synonyms

Results Name

  • Bryostatin 13

Synonyms

  • Bryostatin 13
  • Butanoic acid, 1,11,21-trihydroxy-17-(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-25-yl ester, (1S-(1R*,3R*,5Z,7S*,8E,11S*,13E,15R*,17S*(R*),21S*,23S*,25R*))-

Systematic Name

  • Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-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-25-yl ester

Registry Numbers

CAS Registry Number

  • 107021-11-4

System Generated Number

  • 0107021114

Structure Descriptors

InChI

1S/C41H62O15/c1-9-10-34(44)54-33-21-30-18-27(43)19-37(47)53-32(24(2)42)20-29-15-26(17-36(46)51-8)22-40(48,55-29)38(3,4)12-11-28-13-25(16-35(45)50-7)14-31(52-28)23-41(49,56-30)39(33,5)6/h11-12,16-17,24,27-33,42-43,48-49H,9-10,13-15,18-23H2,1-8H3/b12-11+,25-16+,26-17+/t24-,27+,28-,29-,30+,31-,32+,33-,40+,41-/m0/s1

InChIKey

UYHQBUSZLQOCRF-OYLGSXELSA-N

Smiles

CCCC(=O)O[C@H]1C[C@H]2C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(=C/C(=O)OC)\C[C@@](O)(O3)C(C)(C)\C=C\[C@H]4C\C(=C/C(=O)OC)\C[C@@H](C[C@](O)(O2)C1(C)C)O4)[C@H](C)O