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Pseudoginsenoside RT1

CAT: 0127-BUP04383-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04383-04Size:25 mg
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CAS Number
98474-74-9
Purity
=98%
Smiles
[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)C(O)=O)OC[C@@H](O)[C@H](O)[C@H]1O

Chemical Information

Pseudoginsenoside Rt1

Pseudoginsenoside RT1 has been reported in Panax japonicus and Caroxylon imbricatum with data available.

CAS Number98474-74-9
PubChem CID52942904
IUPAC Name(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC47H74O18
Molecular Weight927.1
XLogP2.8
Topological Polar Surface Area292
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count65
Formal Charge0
Complexity1830
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
InChI
InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-34(56)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(32(54)31(53)35(63-40)37(57)58)64-38-33(55)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,38+,39-,40+,44-,45+,46+,47-/m0/s1
InChIKey
YTPBUIWNJRGZFW-PHOTXNDESA-N
Chemical Structure
2D Structure
2D structure of Pseudoginsenoside Rt1
CAS: 98474-74-9
CID: 52942904
Formula: C47H74O18
MW: 927.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight927.1
XLogP32.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass926.48751551
Monoisotopic Mass926.48751551
Topological Polar Surface Area292 Ų
Heavy Atom Count65
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count22
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP11044-01Pseudoginsenoside F11
BUP24073-01Pseudoginsenoside RP1
BUP21949-01Pseudoginsenoside RT5

Alternative Products

CatalogName
N1948-20Pseudoginsenoside-RT5
FP74540-01Pseudoginsenoside Rt1
TP027175Pseudoginsenoside F11
AB0018Pseudoginsenoside RT5
sc-281139Pseudoginsenoside FII
GTR19233564-01Pseudoginsenoside Rg3
GTR19178310Pseudoginsenoside F8
GTR19178309Pseudoginsenoside RC1
M31767Pseudoginsenoside Rh2
HY-N17685Pseudoginsenoside RT4

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