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Schleicheol 1

CAT: 0804-HY-N1249Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N1249Size:1 Each
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Description
Schleicheol 1 is a terpenoid that can be isolated from Secamone lanceolata[1].
CAS Number
256445-66-6
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/schleicheol-1.html
Solubility
10 mM in DMSO
Smiles
CC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Molecular Formula
C30H52O2
Molecular Weight
444.73
References & Citations
[1]Panpan Yang, et al. Sesquiterpenoids and triterpenoids from Secamone lanceolata blume with inhibitory effects on nitric oxide production. Fitoterapia. 2019 Mar;133:5-11.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(3beta,7beta)-7-Methoxystigmast-5-en-3-ol

(1R,3aS,3bS,4R,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4-methoxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol has been reported in Schleichera oleosa and Cremanthodium discoideum with data available.

CAS Number256445-66-6
PubChem CID10623182
IUPAC Name(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC30H52O2
Molecular Weight444.7
XLogP8.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity682
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC)C)C(C)C
InChI
InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3/t20-,21-,23+,24-,25+,26+,27+,28+,29+,30-/m1/s1
InChIKey
LJJLFLNKMQSUFO-XNXDZERNSA-N
Chemical Structure
2D Structure
2D structure of (3beta,7beta)-7-Methoxystigmast-5-en-3-ol
CAS: 256445-66-6
CID: 10623182
Formula: C30H52O2
MW: 444.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.7
XLogP38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass444.396730897
Monoisotopic Mass444.396730897
Topological Polar Surface Area29.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity682
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

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