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20-Hydroxyedysone

CAT: 0926-FH10452-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH10452-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5289-74-7
Synonyms
Ecdysterone; (+) -20-Hydroxyecdysone
MDL Number
MFCD00036740
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] (CCC (C) (C) O) O) (C) O) (CC2) [H]) [H]
Molecular Formula
C27H44O7
Molecular Weight
480.64 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

20-Hydroxyecdysone

20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as an animal metabolite and a plant metabolite. It is an ecdysteroid, a phytoecdysteroid, a 3beta-sterol, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid and a 25-hydroxy steroid. It is functionally related to an ecdysone.

CAS Number5289-74-7
PubChem CID5459840
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC27H44O7
Molecular Weight480.6
XLogP0.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity869
SMILES
C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
InChI
InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKey
NKDFYOWSKOHCCO-YPVLXUMRSA-N
Chemical Structure
2D Structure
2D structure of 20-Hydroxyecdysone
CAS: 5289-74-7
CID: 5459840
Formula: C27H44O7
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass480.30870374
Monoisotopic Mass480.30870374
Topological Polar Surface Area138 Ų
Heavy Atom Count34
Formal Charge0
Complexity869
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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