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Home > Encyclopedia > (3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid structure

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid 

structure
  • CAS No:

    72939-70-9

  • Formula:

    C34H32N4O6

  • Chemical Name:

    (3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

  • Synonyms:

    3-Phorbinepropanoic acid,21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-,(3S,4S,21R)-;3-Phorbinepropanoic acid,21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-,[3S-(3α,4β,21β)]-;(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid Basic Attributes

592.6 g/mol

592.64

277-116-5

Characteristics

161 Ų

2.38450

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid Use and Manufacturing

3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-, (3S,4S,21R)-: INACTIVE

Computed Properties

Molecular Weight:592.6
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:592.23218475
Monoisotopic Mass:592.23218475
Topological Polar Surface Area:161
Heavy Atom Count:44
Complexity:1850
Defined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-13-formyl-4,8,18-trimethyl-20-oxo-3-phorbinepropanoic acid

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