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Home> Encyclopedia > Hot Product Listed 5   > 5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylicacid,1,2,3,4,4a,6,7,7a,8,9...
856328-53-5 structure

5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylicacid,1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-9,11-dihydroxy-1-methoxy-15-methyl-,methyl ester, (1S,4aR,4bR,5S,6R,7aS,9R,11S,11aR,12R,15S)-

Iupac Name:N-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CAS No.:856328-53-5
Molecular Weight:189.211
Molecular Formula:C14H18N2O2 (isomer)
Names and Identifiers
Synonyms

(+)-16-Debenzoylhimandrine 5,6,9-[1]Butanyl[4]ylidene-5H-benz[6,7]indeno[7a,1-b]pyrrole-10-carboxylicacid,1,2,3,4,4a,6,7,7a,8,9,11,11a-dodecahydro-9,11-dihydroxy-1-methoxy-15-methyl-,methyl ester, [1R-(1a,4ab,4bS*,5a,6a,7ab,9a,11a,11aa,12R*,15R*)]- Alkaloid GB 8 Himandrine,debenzoyl- (8CI) Himbosan-18-oic acid, 16,20-dihydroxy-14-methoxy-, methylester, (14a,16a)- O-Debenzoylhimandrine

Inchi
InChI=1S/C8H15NO4/c1-4(11)9-6-2-5(3-10)7(12)8(6)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)
InChkey
KJFMWZCEHSQWQV-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NC1CC(C(C1O)O)CO
Properties
Boiling Point
331.5°C at 760 mmHg
Computational chemical data
  • Molecular Weight:189.211g/mol
  • Molecular Formula:C14H18N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:189.1
  • Monoisotopic Mass:189.1
  • Complexity:197
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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