Acetic acid, hydroxy-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester


Chemical Name: Acetic acid, hydroxy-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester
CAS Number: 125-65-5
Product Number: AG00HHVG(AGN-PC-0PI350)
Synonyms:
MDL No:
Molecular Formula: C22H34O5
Molecular Weight: 378.5024

Identification/Properties


Computed Properties
Molecular Weight:
378.509g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
378.241g/mol
Monoisotopic Mass:
378.241g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
645
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
2
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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