(3β,5ξ,9ξ)-3,6,19-Trihydroxyurs-12-en-28-oic acid

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Systematic / IUPAC Name: (1R,2R,4aS,6aS,6bR,10S,12aR,14bS)-1,8,10-Trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

ID: Reference7810

Other Names: Urs-12-en-28-oic acid, 3,6,19-trihydroxy-, (3β,5ξ,9ξ)-

Formula: C30H48O5

Spectral Data

(3β,5ξ,9ξ)-3,6,19-Trihydroxyurs-12-en-28-oic acid 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2018 10:54:51 AM
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Identificators

InChI InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19?,20?,21+,22-,23?,26-,27-,28-,29-,30+/m1/s1
InChI Key JPGOJQJBPLCRQP-YHJYJCICSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)C2C1(C)O)C)C(=O)O
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Other Names Urs-12-en-28-oic acid, 3,6,19-trihydroxy-, (3β,5ξ,9ξ)-

In Other Databases

ChemSpider 24022822
PubChem 45359677