Products for Research Use Only
RegisterLogin

Soyasaponin Be methyl ester

CAT: 0013-GTR19178321Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19178321Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Soyasaponin Be methyl ester
CAS Number
117210-13-6
Molecular Formula
C49H78O18
Molecular Weight
955.145
Notes
For research use only.

Chemical Information

Dehydrosoyasaponin I methyl ester
CAS Number117210-13-6
PubChem CID9832920
IUPAC Namemethyl (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylate
Molecular FormulaC49H78O18
Molecular Weight955.1
XLogP2.4
Topological Polar Surface Area281
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Heavy Atom Count67
Formal Charge0
Complexity1880
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H]([C@@]4(C)CO)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8=O)(C)C)C)C)C)C)C(=O)OC)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C49H78O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-27,29-39,41-43,50-51,53-59H,11-21H2,1-9H3/t22-,24-,25+,26+,27+,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1
InChIKey
UAQSFFPZBWPNOO-CXWULDEQSA-N
Chemical Structure
2D Structure
2D structure of Dehydrosoyasaponin I methyl ester
CAS: 117210-13-6
CID: 9832920
Formula: C49H78O18
MW: 955.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight955.1
XLogP32.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass954.51881563
Monoisotopic Mass954.51881563
Topological Polar Surface Area281 Ų
Heavy Atom Count67
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19204199-01Soyasaponin III
GTR19229414-01Soyasaponin A1
GTR19165096-01Soyasaponin Ba
GTR19219327Soyasaponin Ae
GTR19183103Soyasaponin II
GTR19171168-01Soyasaponin Bb
GTR19219328Soyasaponin Af
GTR19183105-01Soyasaponin Aa
GTR19183104Soyasaponin Ac
GTR19165095-01Soyasaponin Ab

Alternative Products

CatalogName
TBZ2932Soyasaponin Be methyl Ester
CDA40203-01Methyl acrylamidoglycolate methyl ester
M3519-10Methyl ß-Neuraminic Acid, Methyl Ester (Neuraminic Acid, ß-Methylglycoside, Methyl Ester)
RM-S132240-01Simvastatin Hydroxy Acid Methyl Ester; Tenivastatin Methyl Ester
ZWB53711Amineptine methyl ester
PEA52646-01Imazamox methyl ester
NEA80571-01Olopatadine methyl ester
FS65943-01Steviol methyl ester
FS65452-01Shanzhiside methyl ester
HY-Z4185-01Rebamipide methyl ester

Popular Products