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Glochidonol

CAT: 0926-FG42664-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FG42664-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23963-54-4
MDL Number
MFCD11975480
Smiles
CC (=C) [C@@H]1CC[C@]2 ([C@H]1[C@H]3CC[C@H]4[C@] ([C@@]3 (CC2) C) (CC[C@@H]5[C@@]4 ([C@@H] (CC (=O) C5 (C) C) O) C) C) C
Controlled
No

Chemical Information

Glochidonol

Glochidonol is a pentacyclic triterpenoid that is lup-20(29)-ene substituted by a beta-hydroxy group at position 1 and an oxo group at position 3. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a secondary alcohol and a cyclic terpene ketone. It derives from a hydride of a lupane.

CAS Number23963-54-4
PubChem CID14167335
IUPAC Name(1R,3aR,5aR,5bR,7aR,11R,11aR,11bS,13aR,13bR)-11-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Molecular FormulaC30H48O2
Molecular Weight440.7
XLogP8.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity842
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](CC(=O)C5(C)C)O)C)C)C
InChI
InChI=1S/C30H48O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,24+,25+,27+,28+,29+,30-/m0/s1
InChIKey
POKGESLRCWHPFR-GEWRCSBCSA-N
Chemical Structure
2D Structure
2D structure of Glochidonol
CAS: 23963-54-4
CID: 14167335
Formula: C30H48O2
MW: 440.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP38.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass440.365430770
Monoisotopic Mass440.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity842
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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