139933-46-3
DINOPHYSISTOXIN 2
Name
DINOPHYSISTOXIN 2
Formula
C44 H68 O13
MolWeight
805.008
1Identification
【Name】
DINOPHYSISTOXIN 2
【CAS】
【MDL】
MFCD09832601
【English Synonyms】
【Formula】
C44 H68 O13
【MolWeight】
805.008
【Inchi】
InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31-,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44+/m1/s1
【InChIKey】
InChIKey=BRFKTXCAUCYQBT-UPJAZZBTSA-N
【SMILES】
C[C@@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@]7(O6)[C@@H](CC[C@@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:13
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DINOPHYSISTOXIN 2.cml
Quick Release
TOP Suppliers
Youchemicals Limited
Catalog No:Y65473
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
More 139933-46-3 Suppliers>>
Catalog No:Y65473
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
More 139933-46-3 Suppliers>>