Deacetylnimbin

CAS Registry Number®

18609-16-0

CAS Name

Deacetylnimbin

Molecular Formula

C28H34O8

Molecular Mass

498.56

Cite this Page

Deacetylnimbin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18609-16-0 (retrieved 2024-11-22) (CAS RN: 18609-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3/t16-,17-,18-,22-,23+,24-,26-,27+,28-/m1/s1

InChIKey

InChIKey=CTBHKOAPXBDFPX-PQYHCQQJSA-N

SMILES

C[C@]12[C@H](CC(OC)=O)[C@]3(C)[C@@]([C@@H](O)[C@]1(O[C@]4(C2=C(C)[C@@H](C4)C=5C=COC5)[H])[H])([C@@](C(OC)=O)(C)C=CC3=O)[H]

Canonical SMILES

O=C(OC)CC1C2(C(=O)C=CC(C(=O)OC)(C)C2C(O)C3OC4C(=C(C)C(C5=COC=C5)C4)C31C)C

Other Names for this Substance

  • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5-hydroxy-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, 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
  • 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-, dimethyl ester, (4α,5α,6α,7α,15β,17α)-
  • Nimbic acid, dimethyl ester
  • Deacetylnimbin

View All

Deleted or Replaced CAS Registry Numbers

108044-13-9

CAS INSIGHTSTM
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