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(+)-13alpha-Hydroxylupanine

CAT: 0572-TRC-H943795-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943795-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15358-48-2
Synonyms
7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, dodecahydro-2-hydroxy-, (2S,7S,7aR,14S,14aS)-; 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, dodecahydro-2-hydroxy-, [2S-(2α,7β,7aβ,14β,14aα)]-; Lupanine, 13-hydroxy- (7CI); Lupanine, 13α-hydroxy- (8CI); Lupanine, hydroxy- (6CI); (2S,7S,7aR,14S,14aS)-Dodecahydro-2-hydroxy-7,14-methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one; (+)-13-Hydroxylupanine; (+)-13α-Hydroxylupanine; 13-Hydroxylupanin; 13-Hydroxylupanine; 13α-Hydroxy-2-oxosparteine; 13α-Hydroxylupanine; 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-9-hydroxy-, [7S-(7α,7aβ,9β,14α,14aα)]-; Hydroxylupanin; Hydroxylupanine; NSC 70827; Oxylupanine
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[C@H]1CCN2C[C@@H]3C[C@@H](CN4[C@@H]3CCCC4=O)[C@@H]2C1
Molecular Formula
C15 H24 N2 O2
Molecular Weight
264.36
InChI
InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hydroxylupanine

hydroxylupanine has been reported in Lupinus pilosus, Zanthoxylum ovalifolium, and other organisms with data available.

CAS Number15358-48-2
PubChem CID73404
IUPAC Name(1S,2R,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Molecular FormulaC15H24N2O2
Molecular Weight264.36
XLogP0.6
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity386
SMILES
C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O
InChI
InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1
InChIKey
JVYKIBAJVKEZSQ-YHQUGGNUSA-N
Chemical Structure
2D Structure
2D structure of Hydroxylupanine
CAS: 15358-48-2
CID: 73404
Formula: C15H24N2O2
MW: 264.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.36
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass264.183778013
Monoisotopic Mass264.183778013
Topological Polar Surface Area43.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count5
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
T83452-0113β-Hydroxylupanine
QAA35848-01(+) -13α-Hydroxylupanine
MBS582510113beta-Hydroxylupanine
MBS578864513-Hydroxylupanine
GTR19217075-0113-Hydroxylupanine hydrochloride
HY-119926A13-Hydroxylupanine (hydrochloride)
FH65976-01L-17-Hydroxylupanine perchlorate
GTR191821869alpha,13alpha-Epidioxyabiet-8 (14) -en-18-oic acid
MBS1396032-01Recombinant Lupinus albus 13-hydroxylupanine O-tigloyltransferase (HMT/HLT)
MBS57617919alpha,13alpha-Epidioxyabiet-8(14)-en-18-oic acid

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