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Oleandrin, anhydro-16-deacetyl-

CAT: 1410-M38667Size: 1 EachDry Ice: NoHazardous: No
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Description
16-Anhydrodeacetylnerigoside (compound 4) is a steroid that can be found in Nerium indicum.
CAS Number
69549-58-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
516.666
Molecular Formula
C30H44O7
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Oleandrin,anhydro-16-deacetyl-

3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one has been reported in Pentalinon luteum with data available.

CAS Number69549-58-2
PubChem CID162907286
IUPAC Name3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP3.4
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity990
SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC=C5C6=CC(=O)OC6)O)C)C)OC)O
InChI
InChI=1S/C30H44O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h9,13,17,19-20,22-24,26-27,32-33H,5-8,10-12,14-16H2,1-4H3/t17-,19+,20-,22-,23+,24-,26-,27-,28-,29+,30-/m0/s1
InChIKey
GYHJUCGZRYCVFH-AHUCGMEWSA-N
Chemical Structure
2D Structure
2D structure of Oleandrin,anhydro-16-deacetyl-
CAS: 69549-58-2
CID: 162907286
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area94.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity990
Isotope Atom Count0
Defined Atom Stereocenter Count11
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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