Friedelin

CAS

559-74-0

Catalog Number

ACM559740

Category

Steroidal Compounds

Molecular Weight

426.7

Molecular Formula

C30H50O

MSDS COA Spec Sheet

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Specification

Synonyms

3-oxofriedelane; D:A-friedooleanan-3-one; Friedeline; 3-Friedelanone; FRIEDELAN-3-ONE; FRIEDELIN; Einecs 209-205-1; friedelane-3-one;

IUPAC Name

(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

Canonical SMILES

CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C

InChI

InChI=1S/C30H50O/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/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

InChI Key

OFMXGFHWLZPCFL-SVRPQWSVSA-N

Boiling Point

477.2ºC at 760mmHg

Melting Point

262-265ºC(lit.)

Flash Point

233.9ºC

Density

0.963g/cm³

Appearance

White powder

EC Number

209-205-1

Exact Mass

426.38600

What is the PubChem CID of friedelin?

The PubChem CID of friedelin is 91472.

What is the molecular formula of friedelin?

The molecular formula of friedelin is C30H50O.

What is the molecular weight of friedelin?

The molecular weight of friedelin is 426.7 g/mol.

What is the IUPAC name of friedelin?

The IUPAC name of friedelin is (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one.

What is the InChI of friedelin?

The InChI of friedelin is InChI=1S/C30H50O/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/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1.

What is the CAS number of friedelin?

The CAS number of friedelin is 559-74-0.

What is the European Community (EC) number of friedelin?

The European Community (EC) number of friedelin is 209-205-1.

What is the ChEMBL ID of friedelin?

The ChEMBL ID of friedelin is CHEMBL485998.

What is the Wikipedia page for friedelin?

The Wikipedia page for friedelin is "Friedelin".

What is the XLogP3-AA value of friedelin?

The XLogP3-AA value of friedelin is 9.8.

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