Cas no 47326-53-4 ((1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol)

(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol structure
47326-53-4 structure
Product Name:(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
CAS No:47326-53-4
MF:C20H25N2O2
MW:325.424705266953
CID:330520
PubChem ID:6441055
Update Time:2025-04-19

(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol Chemical and Physical Properties

Names and Identifiers

    • Sarpaganium,10,17-dihydroxy-4-methyl- (9CI)
    • Spegatrine
    • [ "" ]
    • (1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,
    • 47326-53-4
    • (1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
    • AKOS032948989
    • Q15427854
    • Sarpaganium, 10,17-dihydroxy-4-methyl-
    • SCHEMBL25365744
    • (1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo(12.3.1.02,10.04,9.012,17)octadeca-2(10),4(9),5,7-tetraen-7-ol
    • (1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
    • Inchi： 1S/C20H24N2O2/c1-3-11-9-22(2)18-8-15-14-6-12(24)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/p+1/b11-3-/t13-,16-,18?,19+,22?/m1/s1
    • InChI Key： DOTYYDUNWITJSJ-SYMHJQAPSA-O
    • SMILES： OC[C@@H]1[C@H]2/C(=C\C)/C[N+]3(C)[C@H](C4=C(C5C=C(C=CC=5N4)O)CC31)C2

Computed Properties

  • Exact Mass: 325.191603044g/mol
  • Monoisotopic Mass: 325.191603044g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 564
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 56.2
  • XLogP3: 1.7

Experimental Properties

  • Color/Form: Powder

(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol Security Information

  • Storage Condition：Store at room temperature, 2-8 ℃ is better

(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol Pricemore >>

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(1S,12S)-15-Ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol Related Literature

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