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Hupehenisine

CAT: 0931-TN8475-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8475-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
105814-56-0
Bioactivity
Hupehenisine is a natural product that can be used in related research in the field of life sciences. Its product number is TN8475.
Smiles
CC=1[C@@]2(O[C@]3([C@]([C@H]2C)(NC[C@@H](C)C3)[H])[H])CC[C@@]4(C1C(=O)[C@]5([C@]4(CC[C@@]6([C@]5(C)CC[C@H](O)C6)[H])[H])[H])[H]
Molecular Formula
C27H41NO3
Molecular Weight
427.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hupehenisine

See also: Hupehenisine (annotation moved to).

CAS Number105814-56-0
PubChem CID176013
IUPAC Name(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Molecular FormulaC27H41NO3
Molecular Weight427.6
XLogP3.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity821
SMILES
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1
InChI
InChI=1S/C27H41NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h14,16-21,23-24,28-29H,5-13H2,1-4H3/t14-,16+,17-,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKey
YQGYDJYDIWCHOB-YPPUOXSUSA-N
Chemical Structure
2D Structure
2D structure of Hupehenisine
CAS: 105814-56-0
CID: 176013
Formula: C27H41NO3
MW: 427.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass427.30864417
Monoisotopic Mass427.30864417
Topological Polar Surface Area58.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity821
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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