CAS
15459-85-5 Purity
95%
15459-85-5 Purity
95%
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Epifriedelanol
CAS
16844-71-6
Catalog Number
ACM16844716
Category
Steroidal Compounds
Molecular Weight
428.7
Molecular Formula
C30H52O
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Specification
Synonyms
Epifriendelanol; epifriedelenol; 3beta-Hydroxyfriedelane; Epifriedelanol; 3Beta-Friedelanol;
IUPAC Name
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
SMILES
CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
InChI
InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
InChI Key
XCDQFROEGGNAER-PFOIMGGJSA-N
Boiling Point
478.3ºC at 760 mmHg
Density
0.966 g/cm³
Appearance
Cryst
Exact Mass
428.40200
What is the molecular formula of Epifriedelanol?
The molecular formula of Epifriedelanol is C30H52O.
What is the molecular weight of Epifriedelanol?
The molecular weight of Epifriedelanol is 428.7 g/mol.
In which organisms is Epifriedelanol found?
Epifriedelanol is found in Plenckia populnea, Quercus glauca, and other organisms with available data.
What is the IUPAC name of Epifriedelanol?
The IUPAC name of Epifriedelanol is (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol.
What is the InChIKey of Epifriedelanol?
The InChIKey of Epifriedelanol is XCDQFROEGGNAER-PFOIMGGJSA-N.
What is the CAS number for Epifriedelanol?
The CAS number for Epifriedelanol is 16844-71-6.
What is the XLogP3-AA value of Epifriedelanol?
The XLogP3-AA value of Epifriedelanol is 10.1.
How many hydrogen bond donor counts does Epifriedelanol have?
Epifriedelanol has 1 hydrogen bond donor count.
What is the topological polar surface area of Epifriedelanol?
The topological polar surface area of Epifriedelanol is 20.2 Ų.
How many defined atom stereocenter counts does Epifriedelanol have?
Epifriedelanol has 10 defined atom stereocenter counts.
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