Deacetylsalannin

CAS Registry Number®

1110-56-1
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CAS Name

Deacetylsalannin

Molecular Formula

C32H42O8

Molecular Mass

554.67

Cite this Page

Deacetylsalannin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1110-56-1 (retrieved 2024-04-29) (CAS RN: 1110-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-216 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MJNRBOGIPLCVIM-LJEOTECVSA-N

SMILES

C[C@]12[C@]3([C@]([C@@]4([C@](C)([C@@H]1CC(OC)=O)C=5[C@](O4)(C[C@H](C5C)C=6C=COC6)[H])[H])(OC[C@]3(C)[C@H](O)C[C@@H]2OC(/C(=C/C)/C)=O)[H])[H]

Canonical SMILES

O=C(OC1CC(O)C2(C)COC3C4OC5C(=C(C)C(C6=COC=C6)C5)C4(C)C(CC(=O)OC)C1(C)C32)C(=CC)C

Other Names for this Substance

  • 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-buten-1-yl]oxy]-, methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-
  • 2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 8α-(3-furyl)-2a,4,5,5a,6α,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α,5α-dihydroxy-2aβ,5aβ,6aβ,7-tetramethyl-, methyl ester, 5-(2-methylcrotonate), (E)-(+)-
  • 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-[2aα,3β,5β(E),5aα,6α,6aα,8β,9aβ,10aα,10bα,10cβ]]-
  • 2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 8α-(3-furyl)-2a,4,5,5a,6α,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α,5α-dihydroxy-2aβ,5aβ,6aβ,7-tetramethyl-, methyl ester, tiglate
  • 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)-

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Deleted or Replaced CAS Registry Numbers

18061-30-8, 154082-47-0

CAS INSIGHTSTM
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