Salannin

CAS Registry Number®

992-20-1

CAS Name

Salannin

Molecular Formula

C34H44O9

Molecular Mass

596.71

Cite this Page

Salannin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=992-20-1 (retrieved 2024-11-24) (CAS RN: 992-20-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1

InChIKey

InChIKey=CJHBVBNPNXOWBA-REXVOHEDSA-N

SMILES

C[C@]12[C@H](CC(OC)=O)[C@]3(C)[C@]4([C@]([C@]1(O[C@]5(C2=C(C)[C@@H](C5)C=6C=COC6)[H])[H])(OC[C@]4(C)[C@H](OC(C)=O)C[C@@H]3OC(/C(=C/C)/C)=O)[H])[H]

Canonical SMILES

O=C(OC1CC(OC(=O)C)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[b]furo[2′,3′,4′:4,5]naphtho[2,3-d]furan-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-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)-
  • Salannin
  • 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, 3-acetate 2-methylcrotonate, (E)-(+)-
  • 2H,3H-Cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6-acetic acid, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-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, 3-(acetyloxy)-8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-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

154082-46-9

CAS INSIGHTSTM
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