Cas no 1110-56-1 (3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913))

3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913) structure
1110-56-1 structure
Product Name:3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913)
CAS No:1110-56-1
MF:C32H42O8
MW:554.671090602875
CID:176560
PubChem ID:14458886
Update Time:2025-04-19

3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913) Chemical and Physical Properties

Names and Identifiers

    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-aceticacid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-
    • Deacetylsalannin
    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-aceticacid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,...
    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-aceticacid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-
    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-aceticacid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-,m
    • 3-Deacetylsalannin
    • DEACETYLSALANNIN, 3-(P)
    • 3-Desacetylsalannin
    • Desacetylsalannin
    • [ "Desacetylsalannin" ]
    • [6-(Furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.
    • 3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913)
    • Q27135767
    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(2-methyl-1-oxo-2-butenyl)oxy]-, methyl ester, [2aR-[2a,3,5(E),5a,6,6a,8,9a,10a,10b,10c]]
    • CS-0024079
    • AT40291
    • CHEMBL2270444
    • FS-9395
    • BDBM50495949
    • DTXSID201316747
    • CHEBI:67311
    • 2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-, methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-
    • (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate
    • AKOS040761580
    • DESACETYL SALANNIN
    • HY-N3698
    • 1110-56-1
    • FT-0775283
    • B0005-218851
    • C32H42O8
    • DA-62733
    • [(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate
    • Desacetyl salannin; (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(furan-3-yl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2s,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-5-yl (2E)-2-methylbut-2-enoate
    • Inchi: 1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1
    • InChI Key: MJNRBOGIPLCVIM-LJEOTECVSA-N
    • SMILES: O1C[C@]2(C)[C@@H](C[C@@H]([C@]3(C)[C@@H](CC(=O)OC)[C@]4(C)C5=C(C)[C@H](C6=COC=C6)C[C@H]5O[C@@H]4[C@H]1[C@H]32)OC(/C(=C/C)/C)=O)O

Computed Properties

  • Exact Mass: 554.28800
  • Monoisotopic Mass: 554.28796829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 7
  • Complexity: 1140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.4
  • Topological Polar Surface Area: 104

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 628.0±55.0 °C at 760 mmHg
  • Flash Point: 333.6±31.5 °C
  • PSA: 104.43000
  • LogP: 4.72020
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913) Security Information

3-Deacetylsalannin >85% (DISCONTINUED, Offer D198913) Pricemore >>

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TargetMol Chemicals
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ChromaDex Standards
ASB-00004074-001-1mg
DEACETYLSALANNIN, 3
1110-56-1 95.5%
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$183.00 2023-10-25

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