Products for Research Use Only
RegisterLogin

Alisol B 23-acetate

CAT: 0926-FA73774-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FA73774-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
26575-95-1
MDL Number
MFCD00210473
Smiles
C[C@H] (C[C@@H] ([C@@H]1C (O1) (C) C) OC (=O) C) C2=C3C[C@@H] ([C@H]4[C@]5 (CCC (=O) C ([C@@H]5CC[C@@]4 ([C@]3 (CC2) C) C) (C) C) C) O
Molecular Formula
C32H50O5
Molecular Weight
514.74 g/mol
Controlled
No

Chemical Information

Alisol B 23-Acetate

Alisol b acetate is a triterpenoid.

CAS Number26575-95-1
PubChem CID14036811
IUPAC Name[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
Molecular FormulaC32H50O5
Molecular Weight514.7
XLogP5.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1020
SMILES
C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
InChI
InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
InChIKey
NLOAQXKIIGTTRE-JSWHPQHOSA-N
Chemical Structure
2D Structure
2D structure of Alisol B 23-Acetate
CAS: 26575-95-1
CID: 14036811
Formula: C32H50O5
MW: 514.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.7
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass514.36582469
Monoisotopic Mass514.36582469
Topological Polar Surface Area76.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
UAA86575-01Alisol A 23-acetate
DJA09518-01Alisol K 23-acetate
FGA30158-01Alisol E 23-acetate
FA65398Alisol acetate B
FA73942-01Alisol A 24-acetate
FA44561-01Alisol B
TSA68376-01Alisol F 24-acetate (Standard Reference Material)
FA145206-01Alisol A
FBA48927-01Alisol C
DMB14851-01Alisol O

Alternative Products

CatalogName
GTR19179470Alisol A 23-acetate
HY-N0805-01Alisol B 23-acetate
379541Alisol E 23-acetate
T5S2245-01Alisol C 23-acetate
379542Alisol K 23-acetate
AB1085Alisol C-23-acetate

Popular Products