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Polypodine B 20,22-acetonide

CAT: 0013-GTR19180404Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180404Size:5 mg
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Description
Polypodine B 20,22-acetonide (CAS 159858-85-2) is a research chemical used in life science studies. It serves as a key reference standard and probe in phytochemical and pharmacological research, particularly for investigating the biological activities of ecdysteroids in various in vitro assays.
CAS Number
159858-85-2
Smiles
CC (C) (O) CC[C@H]1OC (C) (C) O[C@]1 (C) C1CC[C@@]2 (O) C3=CC (=O) [C@]4 (O) C[C@@H] (O) [C@@H] (O) C[C@]4 (C) [C@H]3CC[C@]12C |t:20|
Molecular Formula
C30H48O8
Molecular Weight
536.706
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Polypodine B 20,22-acetonide

Polypodien B 20,22-Acetonide has been reported in Tinospora cordifolia and Rhaponticum carthamoides with data available.

CAS Number159858-85-2
PubChem CID70689030
IUPAC Name(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular FormulaC30H48O8
Molecular Weight536.7
XLogP1.3
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
C[C@]12CC[C@H]3C(=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)[C@@]1(CC[C@@H]2[C@@]5([C@H](OC(O5)(C)C)CCC(C)(C)O)C)O
InChI
InChI=1S/C30H48O8/c1-24(2,34)11-10-23-28(7,38-25(3,4)37-23)21-9-13-29(35)18-14-22(33)30(36)16-20(32)19(31)15-27(30,6)17(18)8-12-26(21,29)5/h14,17,19-21,23,31-32,34-36H,8-13,15-16H2,1-7H3/t17-,19-,20+,21-,23+,26+,27+,28+,29+,30+/m0/s1
InChIKey
HZCBCWUIZCCMEB-HUSZLGJPSA-N
Chemical Structure
2D Structure
2D structure of Polypodine B 20,22-acetonide
CAS: 159858-85-2
CID: 70689030
Formula: C30H48O8
MW: 536.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.7
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass536.33491849
Monoisotopic Mass536.33491849
Topological Polar Surface Area137 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
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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Alternative Products

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MBS5787428Polypodine B 20,22-acetonide
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