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Yemuoside YM12

CAT: 0804-HY-N12293Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12293Size:1 Each
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Description
Yemuoside YM12 is a nortriterpenoid saponin, that can be found in Stauntonia chinensis Decne[1].
CAS Number
125239-12-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/yemuoside-ym12.html
Solubility
10 mM in DMSO
Smiles
OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]2O)O)O)O[C@H]2OC([C@]34[C@](CC(CC4)=C)([H])C5=CC[C@@]([C@@]6([C@@](C(C)([C@H](CC6)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)([H])CC9)C)([H])[C@]9(C)[C@@]5(CC3)C)=O
Molecular Formula
C52H82O21
Molecular Weight
1043.19
References & Citations
[1]Wang HB, et, al. [The structures of yemuoside YM10 and YM12 from Stauntonia chinensis]. Yao Xue Xue Bao. 1989;24 (6) :444-51.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

yemuoside YM(12)

norolean from Stauntonia chinensis Decne; structure given in first source

CAS Number125239-12-5
PubChem CID195425
IUPAC Name[3,4,6-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC52H82O21
Molecular Weight1043.2
XLogP-0.1
Topological Polar Surface Area334
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count11
Heavy Atom Count73
Formal Charge0
Complexity2040
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(=C)CC7)C(=O)OC8C(C(C(C(O8)O)COC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)O)O)O)O)O
InChI
InChI=1S/C52H82O21/c1-22-10-15-52(47(65)73-45-38(61)33(56)24(42(64)72-45)20-66-43-39(62)37(60)35(58)28(19-53)69-43)17-16-50(6)25(26(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-46-41(34(57)27(54)21-67-46)71-44-40(63)36(59)32(55)23(2)68-44/h8,23-24,26-46,53-64H,1,9-21H2,2-7H3
InChIKey
XBURTOCWRDWUSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of yemuoside YM(12)
CAS: 125239-12-5
CID: 195425
Formula: C52H82O21
MW: 1043.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1043.2
XLogP3-0.1
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count21
Rotatable Bond Count11
Exact Mass1042.53485962
Monoisotopic Mass1042.53485962
Topological Polar Surface Area334 Ų
Heavy Atom Count73
Formal Charge0
Complexity2040
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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