Soyasapogenol D

CAT: 0926-QCA89276-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-QCA89276-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

65892-76-4

Smiles

COC1=C (C (=CC=C1) Cl) S (=O) (=O) N

Molecular Formula

C31H52O3

Molecular Weight

472.70 g/mol

Controlled

Chemical Information

Soyasapogenol D

Soyasapogenol D is a triterpenoid.

CAS Number	65892-76-4
PubChem CID	46173903
IUPAC Name	(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
Molecular Formula	C31H52O3
Molecular Weight	472.7
XLogP	7.2
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	34
Formal Charge	0
Complexity	876

SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(C[C@H]([C@@]5(CC[C@]43C)C)OC)(C)C)C)(C)CO)O

InChI

InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1

InChIKey

JAQZKPHHLRTVCY-ZHRKTGFNSA-N

Chemical Structure

2D Structure

CAS: 65892-76-4

CID: 46173903

Formula: C31H52O3

MW: 472.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	472.7
XLogP3	7.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	472.39164552
Monoisotopic Mass	472.39164552
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	876
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
FS65704-01	Soyasapogenol A
AAA59514-01	Soyasapogenol C
FS42669-01	Soyasapogenol B
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH

Alternative Products

Catalog	Name
TBZ2362	Soyasapogenol A
HY-N6073R	Soyasapogenol A (Standard)
TB01201	Soyasapogenol B
M31843-01	Soyasapogenol D
TBW01282	Soyasapogenol C

Soyasapogenol D

Chemical Information

Related Products

Alternative Products

Popular Products