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Kudzusaponin B1

CAT: 0931-T125525-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125525-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183006-99-7
Target
Others
Related Pathways
Others
Bioactivity
Kudzusaponin B1 is a useful organic compound for research related to life sciences. The catalog number is T125525 and the CAS number is 183006-99-7.
Smiles
CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(O)C(O)C5(C)CCC43C)C(O)=O)C2(C)CO)C(O)=O)C(O)C(O)C1O
Molecular Formula
C48H76O21
Molecular Weight
989.115
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-[[11-Carboxy-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

MUWPBWRABGOPKR-UHFFFAOYSA-N has been reported in Pueraria montana var. thomsonii with data available.

CAS Number183006-99-7
PubChem CID85287208
IUPAC Name6-[[11-carboxy-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Molecular FormulaC48H76O21
Molecular Weight989.1
XLogP0.5
Topological Polar Surface Area353
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Heavy Atom Count69
Formal Charge0
Complexity1960
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(C(C8O)O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O
InChI
InChI=1S/C48H76O21/c1-19-26(51)28(53)32(57)39(64-19)68-34-29(54)27(52)22(17-49)65-40(34)69-35-31(56)30(55)33(38(60)61)67-41(35)66-25-11-12-44(3)23(46(25,5)18-50)10-13-48(7)24(44)9-8-20-21-16-45(4,42(62)63)37(59)36(58)43(21,2)14-15-47(20,48)6/h8,19,21-37,39-41,49-59H,9-18H2,1-7H3,(H,60,61)(H,62,63)
InChIKey
MUWPBWRABGOPKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[[11-Carboxy-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
CAS: 183006-99-7
CID: 85287208
Formula: C48H76O21
MW: 989.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight989.1
XLogP30.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Exact Mass988.48790943
Monoisotopic Mass988.48790943
Topological Polar Surface Area353 Ų
Heavy Atom Count69
Formal Charge0
Complexity1960
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count27
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5791002Kudzusaponin B1

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