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Amarasterone A

CAT: 0931-TN7956-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7956-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20853-88-7
Bioactivity
Amarasterone A (22) is an ecdysteroid compound that can be isolated from the plant Rhaponticum carthamoides.
Smiles
O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](C[C@H](C(CO)C)CC)O)(C)O)(CC2)[H])[H]
Molecular Formula
C29H48O7
Molecular Weight
508.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amarasterone A

See also: Amarasterone A (annotation moved to).

CAS Number20853-88-7
PubChem CID101297611
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC29H48O7
Molecular Weight508.7
XLogP1.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity889
SMILES
CC[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(C)CO
InChI
InChI=1S/C29H48O7/c1-6-17(16(2)15-30)11-25(34)28(5,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,3)18(19)7-9-27(24,29)4/h12,16-18,20,22-25,30,32-36H,6-11,13-15H2,1-5H3/t16?,17-,18+,20+,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1
InChIKey
GTRXMTZSWNWUAX-YAUYKCKZSA-N
Chemical Structure
2D Structure
2D structure of Amarasterone A
CAS: 20853-88-7
CID: 101297611
Formula: C29H48O7
MW: 508.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.7
XLogP31.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass508.34000387
Monoisotopic Mass508.34000387
Topological Polar Surface Area138 Ų
Heavy Atom Count36
Formal Charge0
Complexity889
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N12867Amarasterone A

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