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Hop-22 (29) -ene solution

CAT: 0024-sc-228314Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-228314Size:1 mL
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CAS Number
1615-91-4

Chemical Information

Diploptene

Hop-22(29)-ene is a triterpene consisting of hopane having a C=C double bond at the 22(29)-position. It derives from a hydride of a hopane.

CAS Number1615-91-4
PubChem CID92155
IUPAC Name(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Molecular FormulaC30H50
Molecular Weight410.7
XLogP11.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity730
SMILES
CC(=C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
InChI
InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey
HHXYJYBYNZMZKX-PYQRSULMSA-N
Chemical Structure
2D Structure
2D structure of Diploptene
CAS: 1615-91-4
CID: 92155
Formula: C30H50
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP311.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass410.391251595
Monoisotopic Mass410.391251595
Topological Polar Surface Area0 Ų
Heavy Atom Count30
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count9
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
TRC-H251760-50MGHop-22(29)-ene
HY-N104403-Oxo-hop-22 (29) -ene
HY-N104393β-Acetoxy-hop-22(29)-ene
MBS58148443-Oxo-hop-22(29)-ene
MBS58146883beta-Hydroxy-hop-22(29)-ene
GTR19212927-013β-Hydroxy-hop-22 (29) -ene
TRC-H251800-25MGHop-22(29)-en-3-one
TRC-H251770-50MGHop-21-ene
HY-P3617-01Glucagon (22-29)
PE28PE-22-29

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