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Glochidiol

CAT: 0926-FG42662-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FG42662-03Size:10 mg
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CAS Number
6610-56-6
MDL Number
MFCD11975498
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] (C[C@H] (C5 (C) C) O) O) C) C) C
Controlled
No

Chemical Information

Glochidiol

Glochidiol has been reported in Boswellia sacra with data available.

CAS Number6610-56-6
PubChem CID44559213
IUPAC Name(1R,3aR,5aR,5bR,7aS,9S,11S,11aR,11bS,13aS,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP8.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity801
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](C[C@@H](C5(C)C)O)O)C)C)C
InChI
InChI=1S/C30H50O2/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/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21-,22-,23-,24-,25+,27+,28+,29+,30-/m0/s1
InChIKey
SWEUJTWPRYKNNX-NLRQXZAZSA-N
Chemical Structure
2D Structure
2D structure of Glochidiol
CAS: 6610-56-6
CID: 44559213
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP38.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity801
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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