Truncullin G - methyl ester - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	6Q1CWndsjft
InChI	InChI=1S/C25H40O4/c1-16-8-9-21-19(4)25(6,17(2)15-20(21)14-16)13-12-24(5)11-10-22(28-29-24)18(3)23(26)27-7/h14,17-18,20-22H,4,8-13,15H2,1-3,5-7H3/t17?,18-,20?,21?,22+,24-,25?/m1/s1
InChIKey	VSEZUKGTWQYFLZ-SBHPHZLNSA-N Google Search
Mol Weight	404.6 g/mol
Molecular Formula	C25H40O4
Exact Mass	404.29266 g/mol

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SpectraBase Spectrum ID	9JRgIbTsg7p
Name	Truncullin G - methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40O4
InChI	InChI=1S/C25H40O4/c1-16-8-9-21-19(4)25(6,17(2)15-20(21)14-16)13-12-24(5)11-10-22(28-29-24)18(3)23(26)27-7/h14,17-18,20-22H,4,8-13,15H2,1-3,5-7H3/t17?,18-,20?,21?,22+,24-,25?/m1/s1
InChIKey	VSEZUKGTWQYFLZ-SBHPHZLNSA-N
Molecular Weight	404.591 g/mol
SMILES	C1(C(C(CC2C1CCC(=C2)C)C)(CC[C@@]1(OO[C@]([C@](C(=O)OC)(C)[H])(CC1)[H])C)C)=C
SPLASH	splash10-000i-0940000000-731356f52302a35fc2c2
Source of Spectrum	B-51-578-12
Synonyms	(R)-2-{(3S,6S)-6-Methyl-6-[2-(2,3,6-trimethyl-1-methylene-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-2-yl)-ethyl]-[1,2]dioxan-3-yl}-propionic acid methyl ester (2R)-2-[(3S,6S)-6-methyl-6-[2-(2,3,6-trimethyl-1-methylene-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)ethyl]-3-dioxanyl]propanoic acid methyl ester Methyl (2R)-2-[(3S,6S)-6-methyl-6-[2-(2,3,6-trimethyl-1-methylidene-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)ethyl]dioxan-3-yl]propanoate Methyl (2R)-2-[(3S,6S)-6-methyl-6-[2-(2,3,6-trimethyl-1-methylene-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)ethyl]dioxan-3-yl]propanoate Methyl (2R)-2-[(3S,6S)-6-methyl-6-[2-(2,3,6-trimethyl-1-methylidene-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)ethyl]-1,2-dioxan-3-yl]propanoate
Wiley ID	745802