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Glaucocalyxin D

CAT: 0931-T82312-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T82312-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140671-02-9
Bioactivity
Glaucocalyxin D, an ent-kauranoid-type diterpenoid extracted from Rabdosia japonica, exhibits cytotoxic properties against a range of human tumor cell lines, making it a valuable compound for cancer research [1].
Smiles
O(C(C)=O)[C@H]1[C@]23[C@]([C@@]4(C)[C@](C1)(C(C)(C)C(=O)CC4)[H])(CC[C@](C2O)(C(=C)C3=O)[H])[H]
Molecular Formula
C22H30O5
Molecular Weight
374.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glaucocalyxin D
CAS Number140671-02-9
PubChem CID168007004
IUPAC Name[(1S,2R,4S,9R,10S,13S)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Molecular FormulaC22H30O5
Molecular Weight374.5
XLogP2.3
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity752
SMILES
CC(=O)O[C@@H]1C[C@H]2[C@@](CCC(=O)C2(C)C)([C@H]3[C@]14C([C@@H](CC3)C(=C)C4=O)O)C
InChI
InChI=1S/C22H30O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(27-12(2)23)22(14,18(11)25)19(13)26/h13-15,17,19,26H,1,6-10H2,2-5H3/t13-,14-,15+,17+,19?,21-,22-/m0/s1
InChIKey
FFGVENBOZJZUNS-UVJXNXQRSA-N
Chemical Structure
2D Structure
2D structure of Glaucocalyxin D
CAS: 140671-02-9
CID: 168007004
Formula: C22H30O5
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass374.20932405
Monoisotopic Mass374.20932405
Topological Polar Surface Area80.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRL0079Glaucocalyxin A
TBW01265Glaucocalyxin D
AB3097Glaucocalyxin B
MBS5788346Glaucocalyxin A diacetate

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