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

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.

View Mass Spectra

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