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Sengosterone

CAT: 0931-TN7979-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7979-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22799-11-7
Bioactivity
Sengosterone is a steroid that can be isolated from Ajuga remota.
Smiles
O[C@]12C=3[C@@]([C@]4(C)[C@](O)(C(=O)C3)C[C@@H](O)[C@@H](O)C4)(CC[C@]1(C)[C@@]([C@@]([C@@H](C[C@H]5[C@H](C)C(=O)O[C@@H]5C)O)(C)O)(CC2)[H])[H]
Molecular Formula
C29H44O9
Molecular Weight
536.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S,4S,5R)-5-hydroxy-4-[(3S)-3-hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxan-2-one
CAS Number22799-11-7
PubChem CID185513
IUPAC Name(3S,4S,5R)-5-hydroxy-4-[(3S)-3-hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxan-2-one
Molecular FormulaC29H44O9
Molecular Weight536.7
XLogP0.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
C[C@H]1[C@@H]([C@H](COC1=O)O)CC[C@@](C)([C@H]2CCC3([C@@]2(CC[C@H]4C3=CC(=O)[C@]5([C@@]4(C[C@@H]([C@@H](C5)O)O)C)O)C)O)O
InChI
InChI=1S/C29H44O9/c1-15-16(21(32)14-38-24(15)34)5-9-27(4,35)22-7-10-28(36)18-11-23(33)29(37)13-20(31)19(30)12-26(29,3)17(18)6-8-25(22,28)2/h11,15-17,19-22,30-32,35-37H,5-10,12-14H2,1-4H3/t15-,16-,17-,19-,20+,21-,22-,25+,26+,27-,28?,29+/m0/s1
InChIKey
BVEKCPASWBGPLT-USDNQNGZSA-N
Chemical Structure
2D Structure
2D structure of (3S,4S,5R)-5-hydroxy-4-[(3S)-3-hydroxy-3-[(2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-6-oxo-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl]-3-methyloxan-2-one
CAS: 22799-11-7
CID: 185513
Formula: C29H44O9
MW: 536.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.7
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass536.29853298
Monoisotopic Mass536.29853298
Topological Polar Surface Area165 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
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
M38525Sengosterone

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