26-[13C]-3-(METHOXYMETHOXY)ERGOSTA-5,7,22-TRIENE

SpectraBase Compound ID	8ZVZYKzxAQi
InChI	InChI=1S/C30H48O2/c1-20(2)21(3)8-9-22(4)26-12-13-27-25-11-10-23-18-24(32-19-31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h8-11,20-22,24,26-28H,12-19H2,1-7H3/b9-8+/t21-,22+,24?,26+,27-,28-,29-,30+/m0/s1/i1+1/t20?,21-,22+,24?,26+,27-,28-,29-,30+
InChIKey	VATACWFFCWWCHC-AAPSVIFTSA-N Google Search
Mol Weight	441.7 g/mol
Molecular Formula	C2913CH48O2
Exact Mass	441.368786 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7FvPrYNP6Qk
Name	26-[13C]-3-(METHOXYMETHOXY)ERGOSTA-5,7,22-TRIENE
Copyright	Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass	441.368785619 u
Formula	C29[13C]H48O2
InChI	InChI=1S/C30H48O2/c1-20(2)21(3)8-9-22(4)26-12-13-27-25-11-10-23-18-24(32-19-31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h8-11,20-22,24,26-28H,12-19H2,1-7H3/b9-8+/t21-,22+,24?,26+,27-,28-,29-,30+/m0/s1/i1+1/t20?,21-,22+,24?,26+,27-,28-,29-,30+
InChIKey	VATACWFFCWWCHC-AAPSVIFTSA-N
Molecular Weight	441.704 g/mol
Nominal Mass	441 u
Number of Peaks	359
SMILES	[13CH3]C([C@](\C=C\[C@]([C@]1(CC[C@]2(C3=CC=C4CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)OCOC)[H])[H])(C)[H])(C)[H])C
SPLASH	splash10-004i-9637000000-906603169c99da7ff6e2
Source File Reference	LMCM-55584-890W
Source of Spectrum	Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms	(1S,2R,11R,14R,15R)-14-[7-[13C]-(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]-5-(methoxymethoxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-diene (22E)-3-(METHOXYMETHOXY)ERGOSTA-5,7,22-TRIENE, 13C ISOTOPIC LABELED AT POSITION 26
Wiley ID	8_11238