Products for Research Use Only
RegisterLogin

Diosgenin

CAT: 0127-BUP16024-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP16024-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
512-04-9
Synonyms
Nitogenin
Purity
=98%
Smiles
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2

Chemical Information

Diosgenin

Diosgenin is a sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. It has a role as an antiviral agent, a metabolite, an antineoplastic agent and an apoptosis inducer. It is a sapogenin, a 3beta-sterol, a hexacyclic triterpenoid and a spiroketal. It derives from a hydride of a spirostan.

CAS Number512-04-9
PubChem CID99474
IUPAC Name(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Molecular FormulaC27H42O3
Molecular Weight414.6
XLogP5.7
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity746
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey
WQLVFSAGQJTQCK-VKROHFNGSA-N
Chemical Structure
2D Structure
2D structure of Diosgenin
CAS: 512-04-9
CID: 99474
Formula: C27H42O3
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass414.31339520
Monoisotopic Mass414.31339520
Topological Polar Surface Area38.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BIDF1026-01Diosmetin
BUP11854-01Diosmetin
BICR257Diosmetin-D3
BUP00502-01DiosMetin 7-O-ß-D-Glucuronide
BUP04355-01Diosmetin-7-O-ß-D-glucopyranoside
BICL5032-01Diosmetin 7-O-beta-D-glucuronide
BICL4329-01Diosmetin 3'-O-beta-D-glucuronide
BICL5031-01Diosmetin 7,3'-di-O-beta-D-glucuronide

Alternative Products

CatalogName
TB0204-1000Diosgenin

Popular Products