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Neohop-13 (18) ene solution

CAT: 0024-sc-228824Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-228824Size:1 mL
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CAS Number
21681-17-4

Chemical Information

Hopene II

hopene II has been reported in Goniophlebium niponicum, Davallia trichomanoides, and other organisms with data available.

CAS Number21681-17-4
PubChem CID12310619
IUPAC Name(3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
Molecular FormulaC30H50
Molecular Weight410.7
XLogP10.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity754
SMILES
CC(C)[C@H]1CCC2=C3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC[C@]12C)C)C)(C)C)C
InChI
InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
InChIKey
WGNURPYJZZHCBQ-ZNABNZNXSA-N
Chemical Structure
2D Structure
2D structure of Hopene II
CAS: 21681-17-4
CID: 12310619
Formula: C30H50
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP310.2
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
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS578990513,18-Dehydroglaucarubinone
HY-P73181-01IL-18, Mouse (solution)
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PH2918Calibration Solution (pH9.18, Blue)
VAA24808-0113 (18) -Oleanen-3-one
GTR1918363013 (18) -Oleanen-3-ol
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01517 05000Lead Acetate Basic Solution 18-21%
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