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25 (27) -Ene-elephanoside H

CAT: 1410-M39241-01Size: 1 EachDry Ice: NoHazardous: No
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Description
25 (27) -Ene-elephanoside H
CAS Number
1592406-40-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
752.9
Molecular Formula
C39H60O14
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

25(27)-ene-elephanoside H
CAS Number1592406-40-0
PubChem CID102296878
IUPAC Name(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Molecular FormulaC39H60O14
Molecular Weight752.9
XLogP1
Topological Polar Surface Area214
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count53
Formal Charge0
Complexity1400
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O[C@]18CCC(=C)CO8
InChI
InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-36-34(32(46)30(44)26(15-41)51-36)52-35-33(47)31(45)29(43)25(14-40)50-35/h18-26,28-36,40-41,43-47H,1,5-16H2,2-4H3/t18-,19+,20-,21+,22-,23-,24-,25+,26+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38+,39+/m0/s1
InChIKey
AXFCGJLTLGOLDL-ZLKODEGXSA-N
Chemical Structure
2D Structure
2D structure of 25(27)-ene-elephanoside H
CAS: 1592406-40-0
CID: 102296878
Formula: C39H60O14
MW: 752.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight752.9
XLogP31
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass752.39830658
Monoisotopic Mass752.39830658
Topological Polar Surface Area214 Ų
Heavy Atom Count53
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count21
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

CatalogName
GTR1926930825 (27) -Ene-elephanoside H
HY-N71643-Oxo-24,25,26,27-tetranortirucall-7-ene-23 (21) -lactone
428321-01(3β) -3-[[ (1,1-Dimethylethyl) dimethylsilyl]oxy]-26,27-dinorcholest-5-ene-25-nitrile
KAC17373-013-Oxo-21α-methoxy-24,25,26,27-tetranortirucall-7-ene-23 (21) -lactone
MBS57679413-Oxo-21alpha-methoxy-24,25,26,27-tetranortirucall-7-ene-23 (21) -lactone
XZC29637-0126,27,28-Trihydroxy-25- (octyloxy) -pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1 (25),3,5,7 (28),9,11,13 (27),15,17,19 (26),21,23-dodeca ene-5,11,17-triaceticacid trisodiumsalt
319600-01HSD3B7 (3beta-HSD7, 3 beta-hydroxysteroid dehydrogenase type 7, 3 beta-hydroxysteroid dehydrogenase type VII, 3-beta-HSD VII, 3-beta-hydroxy-Delta (5) -C27 steroid oxidoreductase, C (27) 3-beta-HSD, Cholest-5-ene-3-beta, 7-alpha-diol 3-beta-dehydrogenase)
319601HSD3B7 (3beta-HSD7, 3 beta-hydroxysteroid dehydrogenase type 7, 3 beta-hydroxysteroid dehydrogenase type VII, 3-beta-HSD VII, 3-beta-hydroxy-Delta (5) -C27 steroid oxidoreductase, C (27) 3-beta-HSD, Cholest-5-ene-3-beta, 7-alpha-diol 3-beta-dehydrogenase) discontinued
MBS5824132Elephanoside D
RG-B212012-01But-1-Ene

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