(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7′-hydroxy-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

CAS Registry Number®

171499-81-3
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CAS Name

(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7′-hydroxy-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

Molecular Formula

C32H48O7

Molecular Mass

544.72

Cite this Page

(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7′-hydroxy-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171499-81-3 (retrieved 2024-09-20) (CAS RN: 171499-81-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H48O7/c1-18-14-21(39-28(18)36)15-23(38-20(3)33)19(2)22-8-9-25-30(6)12-11-26(34)29(4,5)24(30)10-13-31(25,7)32(22)16-27(35)37-17-32/h14,19,21-26,34H,8-13,15-17H2,1-7H3/t19-,21+,22-,23+,24+,25-,26+,30+,31-,32+/m1/s1

InChIKey

InChIKey=CMKWUYXJKXGQMH-BZPWAVPHSA-N

SMILES

C[C@]12[C@]3([C@@]([C@H]([C@H](C[C@@H]4C=C(C)C(=O)O4)OC(C)=O)C)(CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H])COC(=O)C3

Canonical SMILES

O=C1OC(C=C1C)CC(OC(=O)C)C(C)C2CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C52COC(=O)C5

Other Names for this Substance

  • Spiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one, 2′-[(1R,2S)-2-(acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7′-hydroxy-4′b,8′,8′,10′a-tetramethyl-, (1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-
  • 21-Nor-16,17-secodammar-24-ene-16,26-dioic acid, 20-(acetyloxy)-3,23,30-trihydroxy-17-methyl-, di-γ-lactone, (3β,17R,20S,23R)-
  • (1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7′-hydroxy-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one
  • Hovenidulcigenin A