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Solanidine

CAT: 0926-FS76516-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FS76516-03Size:25 mg
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CAS Number
80-78-4
MDL Number
MFCD00056839
Smiles
C[C@H]1CC[C@@H]2[C@H] ([C@H]3[C@@H] (N2C1) C[C@@H]4[C@@]3 (CC[C@H]5[C@H]4CC=C6[C@@]5 (CC[C@@H] (C6) O) C) C) C
Molecular Formula
C27H43NO
Molecular Weight
397.64 g/mol
Controlled
No

Chemical Information

Solanidine

Solanidine is a 3beta-hydroxy-Delta(5)-steroid, a solanid-5-en-3-ol and a steroid alkaloid fundamental parent. It has a role as a toxin and a plant metabolite. It is a conjugate base of a solanidine(1+).

CAS Number80-78-4
PubChem CID65727
IUPAC Name(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol
Molecular FormulaC27H43NO
Molecular Weight397.6
XLogP6.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity715
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C
InChI
InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
InChIKey
JVKYZPBMZPJNAJ-OQFNDJACSA-N
Chemical Structure
2D Structure
2D structure of Solanidine
CAS: 80-78-4
CID: 65727
Formula: C27H43NO
MW: 397.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.6
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass397.334464995
Monoisotopic Mass397.334464995
Topological Polar Surface Area23.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity715
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

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Alternative Products

CatalogName
T12971-01Solanidine
HY-N7271RSolanidine (Standard)
CS-O-598274-OH-Solanidine
CS-T-104061Solanidine-d5 (Major)
TRC-H398675-10MG7-Hydroxy Solanidine
TRC-S682402-2.5MGSolanidine-d6 (Mixtures of Diastereomers)
CS-O-598263,4-Seco-Solanidine-3,4-dioic acid
TRC-B406850-250MG3-(11-Biotinyl-3,6,9-trioxaundecoxy)solanidine

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