(3β,5ξ,9ξ)-3,23-Dihydroxy-1-oxoolean-12-en-28-oic acid

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Systematic / IUPAC Name: (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-Hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

ID: Reference7834

Other Names: Olean-12-en-28-oic acid, 3,23-dihydroxy-1-oxo-, (3β,5ξ,9ξ)-

Formula: C30H46O5

Spectral Data

(3β,5ξ,9ξ)-3,23-Dihydroxy-1-oxoolean-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 2
No. of Spectra 1205
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 8:36:19 AM
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Identificators

InChI InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21?,22-,26-,27+,28+,29-,30-/m0/s1
InChI Key BYWZDPHXZQSASO-HSGRQSRLSA-N
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
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Other Names Olean-12-en-28-oic acid, 3,23-dihydroxy-1-oxo-, (3β,5ξ,9ξ)-

In Other Databases

ChemSpider 29814848
PubChem 11134679