Epifriedelanol

CAS

16844-71-6

Catalog Number

ACM16844716

Category

Steroidal Compounds

Molecular Weight

428.7

Molecular Formula

C30H52O

MSDS COA Spec Sheet

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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

Canonical 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 Å².

How many defined atom stereocenter counts does Epifriedelanol have?

Epifriedelanol has 10 defined atom stereocenter counts.