(+)-Bryostatin 2

CAS Registry Number®

87745-28-6

CAS Name

(+)-Bryostatin 2

Molecular Formula

C45H66O16

Molecular Mass

863.00

Cite this Page

(+)-Bryostatin 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87745-28-6 (retrieved 2024-11-24) (CAS RN: 87745-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H66O16/c1-9-10-11-12-13-14-37(49)59-41-29(21-39(51)56-8)20-32-24-35(27(2)46)58-40(52)23-30(47)22-33-25-36(48)43(5,6)44(53,60-33)26-34-18-28(19-38(50)55-7)17-31(57-34)15-16-42(3,4)45(41,54)61-32/h11-16,19,21,27,30-36,41,46-48,53-54H,9-10,17-18,20,22-26H2,1-8H3/b12-11+,14-13+,16-15+,28-19+,29-21+/t27-,30-,31+,32+,33-,34+,35-,36+,41+,44+,45-/m1/s1

InChIKey

InChIKey=LIPGUSBNMQRYNL-IZBIBDMISA-N

SMILES

O(C(/C=C/C=C/CCC)=O)[C@@H]\1[C@@]2(O)O[C@@](C/C1=C\C(OC)=O)(C[C@]([C@@H](C)O)(OC(=O)C[C@H](O)C[C@]3(O[C@@](O)(C[C@]4(O[C@@](\C=C\C2(C)C)(C/C(=C\C(OC)=O)/C4)[H])[H])C(C)(C)[C@@H](O)C3)[H])[H])[H]

Canonical SMILES

O=C(OC)C=C1CC2OC(C1)CC3(O)OC(CC(O)CC(=O)OC(CC4OC(O)(C(OC(=O)C=CC=CCCC)C(=CC(=O)OC)C4)C(C=C2)(C)C)C(O)C)CC(O)C3(C)C

Other Names for this Substance

  • 2,4-Octadienoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,21,25-tetrahydroxy-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, (2E,4E)-
  • Bryostatin 1, 7-O-deacetyl-
  • 18,27,28,29-Tetraoxatetracyclo[21.3.1.13,7.111,15]nonacosane, bryostatin 1 deriv.
  • Bryostatin 2
  • 2,4-Octadienoic acid, 1,11,21,25-tetrahydroxy-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-12-yl ester, [1S-[1R*,3R*,5Z,7S*,8E,11R*,12R*(2E,4E),13E,15R*,17S*(S*),21S*,23S*,25R*]]-

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