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

CAS Registry Number®

560-48-5
No image available.

CAS Name

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

Molecular Formula

C39H61NO12

Molecular Mass

735.90

Cite this Page

Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-[(2S)-2-hydroxy-2-methylbutanoate] 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=560-48-5 (retrieved 2024-06-29) (CAS RN: 560-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197-199 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H61NO12/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39-/m0/s1

InChIKey

InChIKey=FLFCQWMYNRYARR-PUUWZZPASA-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@@](CC)(C)O)=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(O)(C)CC)C

Other Names for this Substance

  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-[(2S)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-
  • Cevane-3β,4β,7α,14,15α,16β,20-heptol, 4,9-epoxy-, 7-acetate 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)
  • Germitrine
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), [3β(S),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.

View All