Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-

CAS Registry Number®

508-66-7

CAS Name

Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-

Molecular Formula

C36H55NO11

Molecular Mass

677.82

Cite this Page

Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=508-66-7 (retrieved 2024-11-22) (CAS RN: 508-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237-238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H55NO11/c1-8-18(3)31(41)47-30-28(40)27-21(16-37-15-17(2)9-10-25(37)33(27,7)42)22-14-34-29(35(22,30)43)23(45-19(4)38)13-24-32(34,6)12-11-26(46-20(5)39)36(24,44)48-34/h17-18,21-30,40,42-44H,8-16H2,1-7H3/t17-,18+,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,32-,33+,34+,35-,36-/m0/s1

InChIKey

InChIKey=ZRZLKBPAQMKVJY-FAPMBQQVSA-N

SMILES

C[C@@]12[C@]34[C@]([C@@]5(O)[C@@](C3)([C@]6([C@]([C@@H](O)[C@@H]5OC([C@@H](CC)C)=O)([C@](C)(O)[C@]7(N(C6)C[C@@H](C)CC7)[H])[H])[H])[H])([C@H](OC(C)=O)C[C@@]1([C@](O)(O4)[C@@H](OC(C)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2C3(O)OC4(CC5C6CN7CC(C)CCC7C(O)(C)C6C(O)C(OC(=O)C(C)CC)C5(O)C14)C2(C)CCC3OC(=O)C)C

Other Names for this Substance

  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-
  • Cevane-3β,4β,7α,14,15α,16β,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-((-)-2-methylbutyrate)
  • Neogermitrine
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,7-diacetate 15-(2-methylbutanoate), [3β,4α,7α,15α(R),16β]-
  • 2H-4,16a-Epoxybenzo[7,8]fluoreno[2,1-b]quinolizine, cevane-3,4,7,14,15,16,20-heptol deriv.

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