Cas no 865-04-3 (Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-)

Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)- structure
865-04-3 structure
Product Name:Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-
CAS No:865-04-3
MF:C33H40N2O9
MW:608.678709983826
CID:722107
PubChem ID:297930
Update Time:2025-04-19

Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)- Chemical and Physical Properties

Names and Identifiers

    • Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-
    • methoserpidine
    • 10-MD
    • 10-Methoxy-deserpidin
    • 10-Methoxydeserpidine
    • Deaserpyl
    • Deerpine
    • Deerpyl
    • Decaserpil
    • Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)- #
    • Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
    • Decaserpine
    • NSC169423
    • Cyclobutanecarboxylicacid,1-amino-,methylester,hydrochloride(9CI)
    • 3.beta., 18.beta.-hydroxy-10,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
    • Decoserpyl
    • 3.beta., 18.beta.-hydroxy-10,17.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester)
    • 10-Methoxy-11-desmethoxyreserpine
    • WLN: T F6 D5 C666 EM ON&&TTTJ JO1 SOVR CO1 DO1 EO1& TO1 UVO1
    • Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-
    • ULBNWNUHGJLQHO-UHFFFAOYSA-N
    • (-)-10-Methoxydeserpidine
    • DTXSID80862446
    • Canescine 10-methoxyderivative
    • Decaserpin
    • 865-04-3
    • Methoserpedine
    • 3-.beta.,20-.alpha.-Yohimban-16-.beta.-carboxylic acid, 18-.beta.-hydroxy-10,17-.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate
    • Decaserpyl plus
    • NSC 169423
    • 3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-10,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
    • methyl 7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
    • Inchi： 1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3
    • InChI Key： ULBNWNUHGJLQHO-UHFFFAOYSA-N
    • SMILES： O(C)C1C(CC2CN3CCC4C5C=C(C=CC=5NC=4C3CC2C1C(=O)OC)OC)OC(C1C=C(C(=C(C=1)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 608.27300
  • Monoisotopic Mass: 608.273
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 10
  • Complexity: 1000
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 118A^2

Experimental Properties

  • Density: 1.2336 (rough estimate)
  • Melting Point: 171°C
  • Boiling Point: 655.12°C (rough estimate)
  • Flash Point: 377.2℃
  • Refractive Index: 1.6260 (estimate)
  • PSA: 117.78000
  • LogP: 4.10900

Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)- Related Literature

Related Categories

865-04-3 (Yohimban-16-carboxylicacid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3b,16b,17a,18b,20a)-) Related Products

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