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Substance Name: Cephalostatin 19
RN: 211050-19-0
InChIKey: CVTSMECTODZBQF-YKZDJOJRSA-N

Note

  • Two steroid units are annulated to a 1,4-pyrazine ring; from African marine worm, Cephalodiscus gilchristi.

Molecular Formula

  • C55-H76-N2-O11

Molecular Weight

  • 941.2084
 
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Names and Synonyms

Name of Substance

  • Cephalostatin 19

Synonym

  • Cephalostatin 19

Systematic Name

  • Dispiro(furan-2(3H),3'-(1H,3H)furo(3'',2'':3',4')cyclopenta(1',2':5,6)naphtho(1,2-b)pyrano(3'',4'':2',3')cyclopenta(1',2':5,6)naphtho(1,2-i)phenazine-15'(24'H),2''(3''H)-furan)-24'-one, 4,4',4'',4'a,5,5',5'',6'b,7',8',8'a,9',11',11'a,11'b,12',13',13'a,13'b,14',16'a,17'b,18',19',19'a,20',22',22'a,22'b,23'-triacontahydro- 3,3'',13',13'b-tetrahydroxy-5''-(hydroxymethyl)-11'-methoxy- 4',5,5,5'',11'a,13'a,14',22'a-octamethyl-, (2R,2''S,3R,3''R,4'S,4'aR,5''S, 6'bR,8'aS,11'R,11'aS,11'bS,13'R,13'aR,13'bS,14'S,16'aS,17'bR,19'aS,22'aS,22'bS,24'aR)-

Registry Numbers

CAS Registry Number

  • 211050-19-0

System Generated Number

  • 0211050190

Structure Descriptors

InChI

1S/C55H76N2O11/c1-26-32-14-15-33-30-12-10-28-16-37-39(21-49(28,6)34(30)18-41(60)52(32,33)25-65-54(26)42(61)22-47(3,4)67-54)56-38-17-29-11-13-31-35(50(29,7)46(64-9)45(38)57-37)19-40(59)51(8)36(31)20-44-53(51,63)27(2)55(66-44)43(62)23-48(5,24-58)68-55/h15,20,26-32,34-35,40,42-44,46,58-59,61-63H,10-14,16-19,21-25H2,1-9H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,40+,42+,43+,44-,46-,48-,49-,50-,51+,52?,53+,54?,55?/m0/s1

InChIKey

CVTSMECTODZBQF-YKZDJOJRSA-N

Smiles

C[C@H]1[C@H]2CC=C3C2(COC14[C@@H](CC(O4)(C)C)O)C(=O)C[C@H]5[C@H]3CC[C@@H]6[C@@]5(Cc7c(nc8c(n7)C[C@@H]9CC[C@@H]1[C@@H]([C@]9([C@H]8OC)C)C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H](C2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)C6)C