Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-6-(acetyloxy)docosahydro-4,6b,8,9-tetrahydroxy-9,12,16b-trimethyl-7-[(2R)-2-methyl-1-oxobutoxy]-2H-4,16a-epoxybenzo[7,8]fluoreno[2,1-b]quinolizin-3-yl ester, (2S,3R)-

CAS Registry Number®

465-75-8

CAS Name

Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-6-(acetyloxy)docosahydro-4,6b,8,9-tetrahydroxy-9,12,16b-trimethyl-7-[(2R)-2-methyl-1-oxobutoxy]-2H-4,16a-epoxybenzo[7,8]fluoreno[2,1-b]quinolizin-3-yl ester, (2S,3R)-

Molecular Formula

C41H63NO14

Molecular Mass

793.94

Cite this Page

Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-6-(acetyloxy)docosahydro-4,6b,8,9-tetrahydroxy-9,12,16b-trimethyl-7-[(2R)-2-methyl-1-oxobutoxy]-2H-4,16a-epoxybenzo[7,8]fluoreno[2,1-b]quinolizin-3-yl ester, (2S,3R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-75-8 (retrieved 2024-12-23) (CAS RN: 465-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H63NO14/c1-10-20(3)34(46)55-33-31(45)30-24(18-42-17-19(2)11-12-28(42)38(30,9)49)25-16-39-32(40(25,33)50)26(53-23(6)44)15-27-36(39,7)14-13-29(41(27,51)56-39)54-35(47)37(8,48)21(4)52-22(5)43/h19-21,24-33,45,48-51H,10-18H2,1-9H3/t19-,20+,21+,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,36-,37-,38+,39+,40-,41-/m0/s1

InChIKey

InChIKey=KBGNYIWYDYVUFP-XDQUZBPMSA-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@@]([C@H](OC(C)=O)C)(C)O)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC(C)C(O)(C(=O)OC1CCC2(C)C3CC(OC(=O)C)C4C5(O)C(OC(=O)C(C)CC)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C)C

Other Names for this Substance

  • Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-6-(acetyloxy)docosahydro-4,6b,8,9-tetrahydroxy-9,12,16b-trimethyl-7-[(2R)-2-methyl-1-oxobutoxy]-2H-4,16a-epoxybenzo[7,8]fluoreno[2,1-b]quinolizin-3-yl ester, (2S,3R)-
  • Germitetrine
  • Cevane-3β,4β,7α,14,15α,16β,20-heptol, 4,9-epoxy-, 7-acetate 3-(erythro-(-)-2,3-dihydroxy-2-methylbutyrate 3-acetate) 15-((-)-2-methylbutyrate)
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-[3-(acetyloxy)-2-hydroxy-2-methylbutanoate] 15-(2-methylbutanoate), [3β(2S,3R),4α,7α,15α(R),16β]-
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-[(2S,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoate] 15-[(2R)-2-methylbutanoate], (3β,4α,7α,15α,16β)-

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