(2R,3S,3aR,3bS,5′R,5aS,6R,6aS,9aR,10aR,10bS,11aS)-Eicosahydro-3,3b,5′,6-tetramethyl-8-oxospiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid

CAS Registry Number®

189014-46-8

CAS Name

(2R,3S,3aR,3bS,5′R,5aS,6R,6aS,9aR,10aR,10bS,11aS)-Eicosahydro-3,3b,5′,6-tetramethyl-8-oxospiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid

Molecular Formula

C27H40O6

Molecular Mass

460.60

Cite this Page

(2R,3S,3aR,3bS,5′R,5aS,6R,6aS,9aR,10aR,10bS,11aS)-Eicosahydro-3,3b,5′,6-tetramethyl-8-oxospiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189014-46-8 (retrieved 2025-03-09) (CAS RN: 189014-46-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-216 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H40O6/c1-14-5-8-27(31-13-14)15(2)24-21(33-27)10-18-16-9-20-19(11-23(30)32-20)26(4,12-22(28)29)17(16)6-7-25(18,24)3/h14-21,24H,5-13H2,1-4H3,(H,28,29)/t14-,15+,16-,17+,18+,19-,20-,21+,24+,25+,26-,27-/m1/s1

InChIKey

InChIKey=OTCSBULKTTUVHL-XXSKBKDCSA-N

SMILES

C[C@@H]1[C@]2(O[C@@]3([C@]1([C@]4(C)[C@@](C3)([C@]5([C@](CC4)([C@](CC(O)=O)(C)[C@]6([C@@](C5)(OC(=O)C6)[H])[H])[H])[H])[H])[H])[H])CC[C@@H](C)CO2

Canonical SMILES

O=C(O)CC1(C)C2CC(=O)OC2CC3C1CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54

Other Names for this Substance

  • Spiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid, eicosahydro-3,3b,5′,6-tetramethyl-8-oxo-, (2R,3S,3aR,3bS,5′R,5aS,6R,6aS,9aR,10aR,10bS,11aS)-
  • Spiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid, eicosahydro-3,3b,5′,6-tetramethyl-8-oxo-, [2R-[2α(R*),3α,3aα,3bβ,5aα,6α,6aα,9aα,10aβ,10bα,11aα]]-
  • (2R,3S,3aR,3bS,5′R,5aS,6R,6aS,9aR,10aR,10bS,11aS)-Eicosahydro-3,3b,5′,6-tetramethyl-8-oxospiro[2H-furo[3′,2′:1,2]indeno[5,4-f]benzofuran-2,2′-[2H]pyran]-6-acetic acid
  • 2,3-Secoporrigenin
  • 2,3-seco-Porrigenin

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