Helvolic acid

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Systematic / IUPAC Name: (4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17,24-trien-21-oic acid

ID: Reference7773

Other Names: (4α,6β,8α,9β,13α,14β,16β,17β)-6,16-Bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;
16-(Acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;
29-Nordammara-1,17(20),24-trien-21-oic acid, 6,16-bis(acetyloxy)-3,7-dioxo-, (4-α,6-β,8-α,9-β,13-α,14-β,16-β,17-β)-;
Fumigacin;
(2Z)-2-[(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methylhept-5-enoic acid

Formula: C33H44O8

Spectral Data

Helvolic 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 4/13/2018 12:36:21 PM
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Identificators

InChI InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1
InChI Key MDFZYGLOIJNNRM-OAJDADRGSA-N
Canonical SMILES CC1C2C(C(=O)C3(C(C2(C=CC1=O)C)CCC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)C)OC(=O)C
CAS
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Other Names (4α,6β,8α,9β,13α,14β,16β,17β)-6,16-Bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;
16-(Acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;
29-Nordammara-1,17(20),24-trien-21-oic acid, 6,16-bis(acetyloxy)-3,7-dioxo-, (4-α,6-β,8-α,9-β,13-α,14-β,16-β,17-β)-;
Fumigacin;
(2Z)-2-[(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Diacetoxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methylhept-5-enoic acid;
(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-Diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

In Other Databases

ChemIDPlus 029400428
PubChem 3002143
ChemSpider 2273343
ChEBI CHEBI:62460
ChEMBL CHEMBL505132