Methyl 3-acetoxyurs-12-en-28-oate

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Systematic / IUPAC Name: Methyl 10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

ID: Reference7383

Other Names: Urs-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester

Formula: C33H52O4

Spectral Data

Methyl 3-acetoxyurs-12-en-28-oate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3068
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/12/2018 1:17:08 PM
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Identificators

InChI InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3
InChI Key HLBZSQOUBVLLLL-UHFFFAOYSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)OC
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Other Names Urs-12-en-28-oic acid, 3-(acetyloxy)-, methyl ester

In Other Databases

ChemSpider 21613093
PubChem 15598285