Lolitrem B

CAS Registry Number®

81771-19-9

CAS Name

Lolitrem B

Molecular Formula

C42H55NO7

Molecular Mass

685.89

Cite this Page

Lolitrem B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81771-19-9 (retrieved 2024-11-21) (CAS RN: 81771-19-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1

InChIKey

InChIKey=HGBZMCXKHKZYBF-WZGHVFPCSA-N

SMILES

O[C@]12[C@]34[C@](O3)([C@]5([C@](O[C@]4(CC[C@]1(C)[C@@]6(C)C7=C(C[C@@]6(CC2)[H])C=8C(N7)=CC=C9C8C[C@@]%10([C@@](C9=O)(C(C)(C)OC%10(C)C)[H])[H])[H])(C(C)(C)O[C@@H](C=C(C)C)O5)[H])[H])[H]

Canonical SMILES

O=C1C2=CC=C3NC4=C(C3=C2CC5C1C(OC5(C)C)(C)C)CC6CCC7(O)C89OC9C%10OC(OC(C)(C)C%10OC8CCC7(C)C46C)C=C(C)C

Other Names for this Substance

  • 7H-[1,3]Dioxino[5′′,4′′:2′,3′]oxireno[4′,4′a][1]benzopyrano[5′,6′:6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-13(8H)-one, 1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5b-hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propen-1-yl)-, (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-
  • 7H-[1,3]Dioxino[5′′,4′′:2′,3′]oxireno[4′,4′a][1]benzopyrano[5′,6′:6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-13(8H)-one, 1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5b-hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propenyl)-, [3S-(3α,4aβ,4bβ,5aR*,5bα,7aβ,9aβ,12aα,16bα,16cβ,18aα,19aα)]-
  • 7H-[1,3]Dioxino[5′′,4′′:2′,3′]oxireno[4′,4′a][1]benzopyrano[5′,6′:6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-13(8H)-one, 1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5b-hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propenyl)-, (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-
  • (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-Octadecahydro-5b-hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propen-1-yl)-7H-[1,3]dioxino[5′′,4′′:2′,3′]oxireno[4′,4′a][1]benzopyrano[5′,6′:6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-13(8H)-one
  • Lolitrem B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration