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Cephalostatin 1

Properties

Image

Occurences in reactions

MNX_ID

MNXM103634

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₅₄H₇₄N₂O₁₀

charge

mass

910.53435

reference

chebi:69376

InChIKey

HHBSFXFIMWLBAI-QEEYNDHBSA-N

InChI

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

SMILES

C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69376 chebi:69376	Cephalostatin 1 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)-
seed.compound:cpd21299 seedM:cpd21299 kegg.compound:C20060 keggC:C20060	Cephalostatin 1
keggC:M_C20060 seedM:M_cpd21299	secondary/obsolete/fantasy identifier