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Tenuigenin

CAT: 0127-BUP10679-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10679-02Size:10 mg
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CAS Number
2469-34-3
Synonyms
Senegenin, Senegin
Purity
=98%
Smiles
CC1(C)CC[C@@]2(CCC3=C([C@@H](CCl)C[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@H]2C1)C(O)=O

Chemical Information

Senegenin

Senegenin is a 12alpha-hydroxy steroid.

CAS Number2469-34-3
PubChem CID12442762
IUPAC Name(2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid
Molecular FormulaC30H45ClO6
Molecular Weight537.1
XLogP5.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1040
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1C[C@@H](C4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CCl)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C
InChI
InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1
InChIKey
CWHJIJJSDGEHNS-MYLFLSLOSA-N
Chemical Structure
2D Structure
2D structure of Senegenin
CAS: 2469-34-3
CID: 12442762
Formula: C30H45ClO6
MW: 537.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.1
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass536.2904668
Monoisotopic Mass536.2904668
Topological Polar Surface Area115 Ų
Heavy Atom Count37
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T3907-01Tenuigenin
HY-N0802RTenuigenin (Standard)
A14551-50Tenuigenin (Senegenin) 50mg
A14551-25Tenuigenin (Senegenin) 25mg
A14551-100Tenuigenin (Senegenin) 100mg
A14551-10Tenuigenin (Senegenin) 10mg
A14551-5Tenuigenin (Senegenin) 5mg
A14551-1Tenuigenin (Senegenin) 1mg
A14551-10mM-DTenuigenin (Senegenin) 10mM * 1mL in DMSO

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