IPHAB Toxins

No vector species registered

Structure
Formula: C67H121ClO24
Exact mono-isotopic mass: 1344.7936
Molfile: n/a
Alternative molfiles: n/a
SMILES: OC[C@H](O)C/C=C/[C@H](O)CCC[C@H](O)CCC[C@H](O)C[C@@H](C)[C@@H](O)[C@H](O)CC[C@H](C)[C@@H](O)[C@@H](O)[C@H](O)CCC[C@@H](C)[C@@H](O)[C@H](O)C[C@]1([H])[C@@H](O)[C@@H](O)[C@H](O)[C@]([C@@H](O)CCC([C@H](O)[C@H](O)[C@@](C[C@H](O)[C@@H]2O)([H])O[C@]2([H])[C@H](O)[C@H](O)/C=C/CCCCCCCC/C=C/C=C/Cl)=C)([H])O1
Alternative SMILES: n/a
InChi key: KXZUDPZWHWYFBO-AEEKLIKVSA-N
Alternative InChi keys: n/a
InChi: InChI=1S/C67H121ClO24/c1-39(21-17-29-47(74)59(84)57(82)40(2)30-32-49(76)56(81)42(4)35-45(72)26-19-24-43(70)22-18-23-44(71)25-20-27-46(73)38-69)55(80)51(78)36-54-63(88)64(89)65(90)66(91-54)50(77)33-31-41(3)58(83)62(87)53-37-52(79)61(86)67(92-53)60(85)48(75)28-15-13-11-9-7-5-6-8-10-12-14-16-34-68/h12,14-16,20,25,28,34,39-40,42-67,69-90H,3,5-11,13,17-19,21-24,26-27,29-33,35-38H2,1-2,4H3/b14-12+,25-20+,28-15+,34-16+/t39-,40+,42-,43+,44-,45+,46-,47-,48-,49-,50+,51-,52+,53+,54-,55-,56-,57-,58+,59+,60-,61+,62-,63-,64-,65+,66-,67-/m1/s1
Alternative InChis
Spectra available: Unknown
Chem files

Certified

False

Certified links

n/a

Non certified reference material

Unknown

Karlotoxin 2