58543-17-2
REBAUDIOSIDE B
Name
REBAUDIOSIDE B
Formula
C38 H60 O18
MolWeight
804.874
1Identification
【Name】
REBAUDIOSIDE B
【CAS】
【MDL】
MFCD02752303
【English Synonyms】
【Formula】
C38 H60 O18
【MolWeight】
804.874
【Inchi】
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-32-28(48)29(24(44)19(14-41)52-32)54-33-30(26(46)23(43)18(13-40)53-33)55-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37+,38-/m1/s1
【InChIKey】
InChIKey=ALRGWLBBKBJIES-AGBQGUBASA-N
【SMILES】
C[C@@]12CCC[C@@]([C@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)(C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:18
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
REBAUDIOSIDE B.cml
Quick Release
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