Nimbin

CAS Registry Number®

5945-86-8

CAS Name

Nimbin

Molecular Formula

C30H36O9

Molecular Mass

540.60

Cite this Page

Nimbin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5945-86-8 (retrieved 2024-11-22) (CAS RN: 5945-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1

InChIKey

InChIKey=NHOIBRJOQAYBJT-IMGVWCFESA-N

SMILES

C[C@@]12[C@@]([C@H](OC(C)=O)[C@@]3([C@@](C)([C@H]1CC(OC)=O)C(=O)C=C[C@]3(C(OC)=O)C)[H])(O[C@]4(C2=C(C)[C@@H](C4)C=5C=COC5)[H])[H]

Canonical SMILES

O=C(OC1C2OC3C(=C(C)C(C4=COC=C4)C3)C2(C)C(CC(=O)OC)C5(C(=O)C=CC(C(=O)OC)(C)C15)C)C

Other Names for this Substance

  • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-
  • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6α-carboxy-2α-(3-furyl)-3,3aα,4aβ,5,5aα,6,9,9a,10α,10a-decahydro-5α-hydroxy-1,6,9aβ,10aβ-tetramethyl-9-oxo-, dimethyl ester, acetate
  • Nimbin
  • 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-, dimethyl ester, (4α,5α,6α,7α,15β,17α)-
  • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6β-carboxy-2α-(3-furyl)-3,3aβ,4aβ,5,5aα,6,9,9a,10,10a-decahydro-5α-hydroxy-1,6,9aβ,10aβ-tetramethyl-9-oxo-, dimethyl ester, acetate

View All

Deleted or Replaced CAS Registry Numbers

22076-43-3, 25990-69-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration