Cas no 1159579-45-9 (Alstonic acid B)

Alstonic acid B structure
Alstonic acid B structure
Product Name:Alstonic acid B
CAS No:1159579-45-9
MF:C30H46O3
MW:454.684449672699
CID:97738
PubChem ID:91895417
Update Time:2025-08-05

Alstonic acid B Chemical and Physical Properties

Names and Identifiers

    • 1H-5a,8-Methanocyclohepta[a]cyclopenta[f]naphthalene-13-aceticacid,2,3,3a,3b,4,5,6,7,8,9,10b,11,12,12a-tetradecahydro-3b,7,7,10b,12a,13-hexamethyl-1-(1-methylethyl)-6-oxo-,(1R,3aR,3bS,5aR,8R,10bS,12aR,13S)-
    • [(1R,4S,5R,8R,9R,12S,16R,19S)-8-Isopropyl-4,9,12,17,17,19-hexamethyl-18-oxopentacyclo[14.2.1.0<sup>1,13</sup>.0<sup>4,12</sup>.0<sup>5,9</sup>]nonadec-13-en-19-yl]acetic acid
    • 1H-5a,8-Methanocyclohepta[a]cyclopenta[f]naphthalene-13-aceticacid,2,3,3a,3b,4,5,6,7,8,9,10b,1...
    • 1H-5a,8-Methanocyclohepta[a]cyclopenta[f]naphthalene-13-aceticacid,2,3,3a,3b,4,5,6,7,8,9,10b,11,12,12a-tetradecahydro-3b,7,7,
    • 1H-5a,8-Methanocyclohepta[a]cyclopenta[f]naphthalene-13-aceticacid,2,3,3a,3b,4,5,6,7,8,9,10b,11,12,12a-tetradecahydro-3b,7,7,10b,12a,13-hexamethyl-1-(1-methylethyl)-6-oxo-,(1R,3aR,3bS,5aR,8R,10bS,12aR
    • Alstonic acid B
    • alpinetin chalcone
    • alstonic acid A
    • [ "" ]
    • 2-[(1R,4S,5R,8R,9R,12S,16R,19S)-4,9,12,17,17,19-hexamethyl-18-oxo-8-propan-2-yl-19-pentacyclo[14.2.1.01,13.04,12.05,9]nonadec-13-enyl]acetic acid
    • 1159579-45-9
    • FS-10184
    • AKOS032962124
    • 2-((1R,4S,5R,8R,9R,12S,16R,19S)-4,9,12,17,17,19-hexamethyl-18-oxo-8-propan-2-yl-19-pentacyclo(14.2.1.01,13.04,12.05,9)nonadec-13-enyl)acetic acid
    • Alstonate b
    • Inchi: 1S/C30H46O3/c1-18(2)19-9-10-21-26(19,5)13-14-28(7)22-12-11-20-25(3,4)24(33)30(22,16-15-27(21,28)6)29(20,8)17-23(31)32/h12,18-21H,9-11,13-17H2,1-8H3,(H,31,32)/t19-,20+,21-,26-,27+,28-,29+,30-/m1/s1
    • InChI Key: WPCBXRKYKJHHMS-ALFWALAGSA-N
    • SMILES: O=C1C(C)(C)[C@@H]2CC=C3[C@@]1(CC[C@@]1(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@@]13C)[C@@]2(C)CC(=O)O

Computed Properties

  • Exact Mass: 454.34500
  • Monoisotopic Mass: 454.34469533g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 944
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.4
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 555.4±23.0 °C at 760 mmHg
  • Flash Point: 303.8±19.1 °C
  • PSA: 54.37000
  • LogP: 7.29770
  • Vapor Pressure: 0.0±3.2 mmHg at 25°C

Alstonic acid B Security Information

Alstonic acid B Pricemore >>

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