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Siaresinolic acid

CAT: 0013-GTR19242876-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242876-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Siaresinolic acid is a natural triterpenoid compound used in life sciences research. It serves as a reference standard and experimental tool in biochemical studies, with applications in both in vitro and in vivo models to investigate its biological activities.
CAS Number
511-77-3
Smiles
C (O) (=O) [C@]12[C@] (C=3[C@@] (C) (CC1) [C@@]4 (C) [C@] (CC3) ([C@]5 (C) [C@@] (CC4) (C (C) (C) [C@@H] (O) CC5) [H]) [H]) ([C@H] (O) C (C) (C) CC2) [H]
Molecular Formula
C30H48O4
Molecular Weight
472.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Siaresinol

Siaresinol is a triterpenoid.

CAS Number511-77-3
PubChem CID12315525
IUPAC Name(1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP6.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity919
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)C)(C)C)O
InChI
InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey
KFALHTDSQSJCFC-LLICELPBSA-N
Chemical Structure
2D Structure
2D structure of Siaresinol
CAS: 511-77-3
CID: 12315525
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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