Cas no 2718-25-4 ((+)-Rheadine)

(+)-Rheadine structure
(+)-Rheadine structure
Product Name:(+)-Rheadine
CAS No:2718-25-4
MF:C21H21NO6
MW:383.39454627037
CID:258345
PubChem ID:197775
Update Time:2025-04-19

(+)-Rheadine Chemical and Physical Properties

Names and Identifiers

    • rhoeadine
    • 3:10,11-bis(methylenebis(oxy))-8-methoxy-16-methyl-(8-beta)-rheada
    • 8-beta-methoxy-16-methyl-2,3:10,11-bis(methylenebis(oxy))rheadan
    • rheadine
    • rhoeadin
    • 8β-Methoxy-16-methyl-2,3:10,11-bis[methylenebis(oxy)]rheadan
    • Brn 0098745
    • Rheadan, 8-methoxy-16-methyl-2,3:10,11-bis(methylenebis(oxy))-, (8-beta)-
    • (+)-Rheadine
    • RHOEADINE(RG)
    • 4-27-00-06897 (Beilstein Handbook Reference)
    • (1R, 14R, 24S)-24-methoxy-13-methyl-5, 7, 19, 21, 25-pentaoxa-13-azahexacyclo[12.11.0.02, 10.04, 8.015, 23.018, 22]pentacosa-2, 4(8), 9, 15(23), 16, 18(22)-hexaene
    • UNII-9Q9C65WH3B
    • DTXSID10181652
    • 9Q9C65WH3B
    • AKOS040762281
    • RHEADINE [MI]
    • 2718-25-4
    • (1R,14R,24S)-24-methoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
    • SCHEMBL673349
    • HY-N9123
    • NS00094621
    • (1,3)DIOXOLO(4,5-H)-1,3-DIOXOLO(7,8)(2)BENZOPYRANO(3,4-A)(3)BENZAZEPINE, 5B,6,7,8,13B,15-HEXAHYDRO-15-METHOXY-6-METHYL-, (5BR,13BR,15S)-
    • CS-0158798
    • Q203455
    • (+)-Rhoeadine
    • C09619
    • CHEBI:8836
    • 1-Isorheadine
    • Isorhoeadine
    • Inchi: 1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
    • InChI Key: XRBIHOLQAKITPP-SBHAEUEKSA-N
    • SMILES: O1[C@@H](C2C3=C(C=CC=2[C@@H]2[C@H]1C1C=C4C(=CC=1CCN2C)OCO4)OCO3)OC

Computed Properties

  • Exact Mass: 383.13700
  • Monoisotopic Mass: 383.13688739g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 1
  • Complexity: 591
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 58.6?2

Experimental Properties

  • Density: 1.3202 (rough estimate)
  • Melting Point: 222°C
  • Boiling Point: 510.32°C (rough estimate)
  • Refractive Index: 1.5614 (estimate)
  • PSA: 58.62000
  • LogP: 3.02740
  • Specific Rotation: D23 +235° (c = 1.01 in chloroform); D22 +174° (c = 0.69 in pyridine)

(+)-Rheadine Pricemore >>

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(+)-Rheadine Production Method

(+)-Rheadine Related Literature

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