16,17-Secoyohimban-16,17-diol, 18-[(acetyloxy)methyl]-, diacetate (ester), (3.beta.)-(.+-.)-

SpectraBase Compound ID	AklZQCCjpgh
InChI	InChI=1S/C26H34N2O6/c1-16(29)32-13-19(14-33-17(2)30)10-20-12-28-9-8-23-22-6-4-5-7-24(22)27-26(23)25(28)11-21(20)15-34-18(3)31/h4-7,19-21,25,27H,8-15H2,1-3H3/t20-,21+,25-/m0/s1
InChIKey	KKFQWBNBNXHIKS-BKSPAHHJSA-N Google Search
Mol Weight	470.6 g/mol
Molecular Formula	C26H34N2O6
Exact Mass	470.241687 g/mol

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SpectraBase Spectrum ID	4A6aGmtuGyb
Name	16,17-Secoyohimban-16,17-diol, 18-[(acetyloxy)methyl]-, diacetate (ester), (3.beta.)-(.+-.)-
Alternate Name(s)	16,17-Secoyohimban-16,17-diol, 18-[(acetyloxy)methyl]-, diacetate (ester), (15.alpha.)-(.+-.)- 3.beta.-[3-Acetoxy-2-(acetoxymethyl)propyl]-2.beta.-(acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-indolo[2,3-a]quinolizine (isomer B) 3-(acetyloxy)-2-({(2S,3R,12bS)-2-[(acetyloxy)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl}methyl)propyl acetate 3.beta.-[3-acetoxy-2-(acetoxymethyl)propyl]-2.beta.-(acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-indolo[2,3-a]quinolizine (isomer a) Indolo[2,3-a]quinolizine, 16,17-secoyohimban-16,17-diol deriv.
CAS Registry Number	78419-72-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H34N2O6
InChI	InChI=1S/C26H34N2O6/c1-16(29)32-13-19(14-33-17(2)30)10-20-12-28-9-8-23-22-6-4-5-7-24(22)27-26(23)25(28)11-21(20)15-34-18(3)31/h4-7,19-21,25,27H,8-15H2,1-3H3/t20-,21+,25-/m0/s1
InChIKey	KKFQWBNBNXHIKS-BKSPAHHJSA-N
Molecular Weight	470.566 g/mol
SMILES	[nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@@]([C@](C1)(COC(=O)C)[H])(CC(COC(=O)C)COC(=O)C)[H])[H]
SPLASH	splash10-00xr-0623900000-946f9f03094c36d8142c
Source of Spectrum	K-114-1918-0
Wiley ID	1392835