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Substance Name: Cephalostatin I
RN: 112088-56-9
InChIKey: HHBSFXFIMWLBAI-UVKBAIETSA-N

Note

  • Two steroid units are annulated to a 1,4-pyrazine ring.

Molecular Formula

  • C54-H74-N2-O10

Molecular Weight

  • 911.183
 
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Names and Synonyms

Name of Substance

  • Cephalostatin I

Synonym

  • NSC 363979

Systematic Names

  • 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)-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'aS,11'bS,13'R,13'aR,13'bS,14'S,16'aS,17'bR,19'aS,22'aS,22'bS,24'aR)-
  • 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)-4',5,5,5'',11'a,13'a,14',22'a-octamethyl-, (3'R-(3'alpha(R*),4'alpha,4'abeta,6'balpha,8'abeta,11'aalpha,11'bb eta,13'alpha,13'aalpha,13'bbeta,14'beta,15'alpha(3''R*,5''S*),1 6'abeta,17'balpha,19'abeta,22'aalpha,22'bbeta,24'aR*))-

Registry Numbers

CAS Registry Number

  • 112088-56-9

System Generated Number

  • 0112088569

Structure Descriptors

InChI

1S/C54H74N2O10/c1-26-32-13-14-33-30-11-9-28-15-37-40(21-49(28,7)35(30)18-42(59)51(32,33)25-63-53(26)43(60)22-46(3,4)65-53)56-38-16-29-10-12-31-34(48(29,6)20-39(38)55-37)17-41(58)50(8)36(31)19-45-52(50,62)27(2)54(64-45)44(61)23-47(5,24-57)66-54/h14,19,26-32,34-35,41,43-45,57-58,60-62H,9-13,15-18,20-25H2,1-8H3/t26-,27-,28-,29-,30-,31+,32+,34-,35-,41+,43+,44+,45-,47-,48-,49-,50+,51?,52+,53?,54?/m0/s1

InChIKey

HHBSFXFIMWLBAI-UVKBAIETSA-N

Smiles

O1[C@@H]2[C@@]([C@@H]([C@@]31[C@@H](C[C@@](O3)(CO)C)O)C)(O)[C@@]1(C([C@H]3[C@H](C[C@H]1O)[C@@]1([C@@H](CC3)Cc3c(C1)nc1C[C@H]4[C@@](Cc1n3)([C@@H]1[C@@H](CC4)C=3[C@@]4(C(C1)=O)[C@H](CC3)[C@@H]([C@@]1(OC(C)(C)C[C@H]1O)OC4)C)C)C)=C2)C