Molecule

(E)-N-propyl-4-{4,7,11-trihydroxy-3a,5a,9a,11a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}butanimidic acid

AlkaPlorer ID: AK077053

Synonym: None

IUPAC Name: N-propyl-4-(3,7,12-trihydroxy-5,10,13,14-tetramethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide

Structure

SMILES: CCCN=C(O)CCCC1CCC2(C)C3C(O)CC4(C)CC(O)CCC4(C)C3CC(O)C12C

InChI: InChI=1S/C28H49NO4/c1-6-14-29-23(33)9-7-8-18-10-12-27(4)24-20(15-22(32)28(18,27)5)26(3)13-11-19(30)16-25(26,2)17-21(24)31/h18-22,24,30-32H,6-17H2,1-5H3,(H,29,33)

InChIKey: DAIDKOMWNKGKSP-UHFFFAOYSA-N

Reference

PubChem CID: 53399153

CAS: 107-35-7

NPASS: NPC111617

COCONUT: CNP0200976

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bos taurus	Bos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Bubalus bubalis	Bubalus	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Holothuria leucospilota	Holothuria	Holothuriidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Mesobuthus martensii	Mesobuthus	Buthidae	Scorpiones	Arachnida	Arthropoda	Metazoa	Eukaryota
Lycium chinense	Lycium	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 463.70300000000026

TPSA？: 93.28000000000002

MolLogP？: 5.264800000000006

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi