Barringenol R1

Compound Structure:

Synonyms:

R1-Barrigenol;Giganteumgenin N;Barrigenol R1;Olean-12-ene-3.beta.,15.alpha.,16.alpha.,21.beta.,22.alpha.,28-hexol;Olean-12-ene-3,15,16,21,22,28-hexol #;Olean-12-ene-3,15,16,21,22,28-hexol, (3.beta.,15.alpha.,16.alpha.,21.beta.,22.alpha.)-

Compound ID:

NMPC-612

PubChem ID:

619407

Molecular Formula:

C30H50O6

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(C(C(C2(C(C1O)O)CO)O)O)C)C)(C)C)O)C)C

InChIKey:

DZVVEETZRZUXLI-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	506.7 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	506.36073931 g/mol
Monoisotopic Mass	506.36073931 g/mol
Topological Polar Surface Area	121Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	944
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Phyllanthus amarus

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