Spirosol-5-en-3-ol, (3b,22a,25R)-


Chemical Name: Spirosol-5-en-3-ol, (3b,22a,25R)-
CAS Number: 126-17-0
Product Number: AG000QO7(AGN-PC-0PI8OA)
Synonyms:
MDL No:
Molecular Formula: C27H45NO
Molecular Weight: 399.6523

Identification/Properties


Computed Properties
Molecular Weight:
413.646g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
413.329g/mol
Monoisotopic Mass:
413.329g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
749
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
11
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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