Methyl (2S,2aS,3′aR,4′aR,5aR,12bR,12′bR,12′cR,15aR,15′aS,17′aS)-2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxyspiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate

CAS Registry Number®

19772-79-3

CAS Name

Methyl (2S,2aS,3′aR,4′aR,5aR,12bR,12′bR,12′cR,15aR,15′aS,17′aS)-2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxyspiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate

Molecular Formula

C43H50N4O6

Molecular Mass

718.88

Cite this Page

Methyl (2S,2aS,3′aR,4′aR,5aR,12bR,12′bR,12′cR,15aR,15′aS,17′aS)-2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxyspiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19772-79-3 (retrieved 2024-11-22) (CAS RN: 19772-79-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    286 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1

InChIKey

InChIKey=IIMPGJMHQMBXKL-OPDPKHDKSA-N

SMILES

O[C@@]12[C@@]34[C@@]5([C@]6(C[C@]1(C[C@]7(CN2C=8C3=CC=CC8OC)[C@]9([C@@]%10([C@@]%11(N(C7)CC[C@]%11%12C(=C(C(OC)=O)C%10)NC=%13C%12=CC=CC%13)[H])CCO9)[H])[H])[C@](CCN5CC4)(OCC6)[H])[H]

Canonical SMILES

O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC6(CN7C=8C(OC)=CC=CC8C9%10CCN%11CCC%12OCCC%12(CC(C6)C79O)C%11%10)C%13OCCC%13(C1)C54

Other Names for this Substance

  • Spiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid, 2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxy-, methyl ester, (2S,2aS,3′aR,4′aR,5aR,12bR,12′bR,12′cR,15aR,15′aS,17′aS)-
  • Vobtusine
  • Methyl (2S,2aS,3′aR,4′aR,5aR,12bR,12′bR,12′cR,15aR,15′aS,17′aS)-2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxyspiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate
  • Spiro[1H,15aH-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),6′(7′H)-[4H,5H,15aH,16H]furo[2′,3′:7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid, 2′,3′,4,4′a,5,6,8,12′c,13,13′,14,14′,17′,17′a-tetradecahydro-12′c-hydroxy-9′-methoxy-, methyl ester, [4′aR-[3′aR*,4′aα,6′β(2aR*,5aR*,12bR*,15aR*),12′bR*,12′cβ,15′aα,17′aβ]]-
  • Vobtusin

View All

Deleted or Replaced CAS Registry Numbers

30928-05-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration