(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]-7′-(β-D-glucopyranosyloxy)dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

CAS Registry Number®

171499-80-2

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]-7′-(β-D-glucopyranosyloxy)dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

Molecular Formula

C38H58O12

Molecular Mass

706.86

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]-7′-(β-D-glucopyranosyloxy)dodecahydro-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=171499-80-2 (retrieved 2024-11-22) (CAS RN: 171499-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H58O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h14,20,22-28,30-32,34,39,42-44H,8-13,15-18H2,1-7H3/t20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1

InChIKey

InChIKey=QYJNHCJKVKCJTN-DACNFIPLSA-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[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])[H])COC(=O)C3

Canonical SMILES

O=C1OC(C=C1C)CC(OC(=O)C)C(C)C2CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C62COC(=O)C6

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]-7′-(β-D-glucopyranosyloxy)dodecahydro-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-(β-D-glucopyranosyloxy)-23,30-dihydroxy-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]-7′-(β-D-glucopyranosyloxy)dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one
  • Hovenidulcioside A2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration