(+)-Anacrotine

CAS Registry Number®

5096-49-1
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CAS Name

(+)-Anacrotine

Molecular Formula

C18H25NO6

Molecular Mass

351.39

Cite this Page

(+)-Anacrotine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5096-49-1 (retrieved 2024-06-16) (CAS RN: 5096-49-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1

InChIKey

InChIKey=NPYPUYCITBTPSF-TZCAYXSXSA-N

SMILES

O[C@H]1[C@@]2([C@@]3(N(C1)CC=C3COC(=O)[C@](C)(O)[C@H](C)C\C(=C\C)\C(=O)O2)[H])[H]

Canonical SMILES

O=C1OC2C(O)CN3CC=C(COC(=O)C(O)(C)C(C)CC1=CC)C32

Other Names for this Substance

  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl-, (3Z,5R,6R,14R,14aS,14bR)-
  • Anacrotine
  • Senecionan-11,16-dione, 6,12-dihydroxy-, (6β)-
  • [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine, senecionan-11,16-dione deriv.
  • (3Z,5R,6R,14R,14aS,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6,14-dihydroxy-5,6-dimethyl[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

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Deleted or Replaced CAS Registry Numbers

11032-92-1, 25073-36-3

CAS INSIGHTSTM
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