Spiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylic acid, 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxy-, methyl ester, (2′R,2′aS,3aS,5′aR,8aS,12′bR,13aR,14R,15aR,15′aR,15bS)-

CAS Registry Number®

31230-09-8

CAS Name

Spiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylic acid, 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxy-, methyl ester, (2′R,2′aS,3aS,5′aR,8aS,12′bR,13aR,14R,15aR,15′aR,15bS)-

Molecular Formula

C42H48N4O5

Molecular Mass

688.85

Cite this Page

Spiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylic acid, 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxy-, methyl ester, (2′R,2′aS,3aS,5′aR,8aS,12′bR,13aR,14R,15aR,15′aR,15bS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31230-09-8 (retrieved 2024-11-22) (CAS RN: 31230-09-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H48N4O5/c1-48-29-9-5-7-27-31(29)44-42-24-20-37-13-18-50-30(37)10-15-45(35(37)42)17-12-41(27,42)39(21-24)23-46-16-11-40-26-6-3-4-8-28(26)43-32(40)25(33(47)49-2)22-38(34(40)46)14-19-51-36(38)39/h3-9,24,30,34-36,43-44H,10-23H2,1-2H3/t24-,30-,34-,35-,36+,37+,38-,39+,40-,41-,42-/m0/s1

InChIKey

InChIKey=AXSFWIGDSYMZQJ-JSVKVMEJSA-N

SMILES

O(C)C1=C2N[C@@]34[C@]5([C@@]6(C[C@@]3(C[C@@]78[C@@]4(N(CC5)CC[C@@]7(OCC8)[H])[H])[H])[C@]9([C@@]%10([C@@]%11(N(C6)CC[C@]%11%12C(=C(C(OC)=O)C%10)NC=%13C%12=CC=CC%13)[H])CCO9)[H])C2=CC=C1

Canonical SMILES

O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC6(CC7CC89CCOC9CCN%10CCC%116C=%12C=CC=C(OC)C%12NC7%11C%108)C%13OCCC%13(C1)C54

Other Names for this Substance

  • Spiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylic acid, 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxy-, methyl ester, (2′R,2′aS,3aS,5′aR,8aS,12′bR,13aR,14R,15aR,15′aR,15bS)-
  • Callichiline
  • Spiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylic acid, 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxy-, methyl ester, [3aS-[3aα,8aα(2′S*,2′aS*,5′aS*,15′aS*),13aS*,14β,15aS*,15bβ]]-
  • [3aS-[3aα,8aα(2′S*,2′aS*,5′aS*,15′aS*),13aS*,14β,15aS*,15bβ]]-Methyl 1,2,3a,4,4′,5′,6′,7,8,8′,13′,14,14′,15-tetradecahydro-12-methoxyspiro[13H-8a,14-ethano-5H,15bH-cyclopenta[ij]furo[3,2-a]indolo[3,2-h]quinolizine-17,2′(2′aH)-[1H,15aH]furo[2′,3′:7,8]indolizino[8,1-cd]carbazole]-7′-carboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration