(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7′-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

CAS Registry Number®

174902-16-0

CAS Name

(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7′-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one

Molecular Formula

C44H70O16

Molecular Mass

855.02

Cite this Page

(1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7′-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]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=174902-16-0 (retrieved 2024-11-22) (CAS RN: 174902-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3/t20-,21-,22+,24+,25-,26+,27-,28+,29-,30+,32+,33-,34-,35+,36-,37-,39+,40+,42+,43-,44+/m1/s1

InChIKey

InChIKey=CMTXBVHDOWHMEA-AGGDBPHMSA-N

SMILES

C[C@]12[C@@]3([C@@]([C@H]([C@H](C[C@@H]4C[C@@H](C)C(=O)O4)OC(C)=O)C)(CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H])CC(=O)OC3

Canonical SMILES

O=C(OC(CC1OC(=O)C(C)C1)C(C)C2CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5OC6OC(C)C(O)C(O)C6O)C(C)(C)C4CCC3(C)C72COC(=O)C7)C

Other Names for this Substance

  • Spiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one, 2′-[(1R,2S)-2-(acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7′-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]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-secodammarane-16,26-dioic acid, 20-(acetyloxy)-3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-23,30-dihydroxy-17-methyl-, di-γ-lactone, (3β,17R,20S,23S,25R)-
  • (1′S,2′R,4′aR,4′bR,7′S,8′aR,10′aR)-2′-[(1R,2S)-2-(Acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7′-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]dodecahydro-4′b,8′,8′,10′a-tetramethylspiro[furan-3(2H),1′(2′H)-phenanthren]-5(4H)-one
  • Hovenidulcioside B1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration