5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (4S,5R)-

CAS Registry Number®

158722-23-7

CAS Name

5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (4S,5R)-

Molecular Formula

C53H63NO13Si

Molecular Mass

950.15

Cite this Page

5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (4S,5R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158722-23-7 (retrieved 2024-11-22) (CAS RN: 158722-23-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C53H63NO13Si/c1-10-68(11-2,12-3)67-38-28-39-52(30-61-39,66-33(6)56)44-46(65-48(58)36-26-20-15-21-27-36)53(60)29-37(31(4)40(50(53,7)8)42(62-32(5)55)45(57)51(38,44)9)63-49(59)43-41(34-22-16-13-17-23-34)54-47(64-43)35-24-18-14-19-25-35/h13-27,37-39,41-44,46,60H,10-12,28-30H2,1-9H3/t37-,38-,39+,41-,42+,43+,44-,46-,51+,52-,53+/m0/s1

InChIKey

InChIKey=ZAXCJOQYACAQIY-RGZLSWIJSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](OC(C)=O)C=4C(C)(C)[C@](O)([C@H]3OC(=O)C5=CC=CC=C5)C[C@H](OC(=O)[C@H]6[C@@H](N=C(O6)C7=CC=CC=C7)C8=CC=CC=C8)C4C)[H]

Canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(O[Si](CC)(CC)CC)C2(C(=O)C(OC(=O)C)C4=C(C)C(OC(=O)C5OC(=NC5C=6C=CC=CC6)C=7C=CC=CC7)CC1(O)C4(C)C)C)C=8C=CC=CC8

Other Names for this Substance

  • 5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (4S,5R)-
  • 5-Oxazolecarboxylic acid, 4,5-dihydro-2,4-diphenyl-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[(triethylsilyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(4S*,5R*),11α,12α,12aα,12bα]]-
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, 5-oxazolecarboxylic acid deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration