Methyl (2R)-[(1S,3S,7R,8R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12 03,8]heptadec-7-yl](hydroxy)acetate

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Systematic / IUPAC Name: Methyl (2R)-[(1S,3S,7R,8R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12 03,8]heptadec-7-yl](hydroxy)acetate

ID: Reference7747

Other Names: 6-Hydroxyangolensic acid methyl ester;
7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 4-(3-furanyl)undecahydro-α-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-, methyl ester, (αR,4S,4aS,7aR,8R,11aS,12aS)-

Formula: C27H34O8

Spectral Data

Methyl (2R)-[(1S,3S,7R,8R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12 03,8]heptadec-7-yl](hydroxy)acetate 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 4/10/2018 1:05:41 PM
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Identificators

InChI InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16?,18-,20?,21-,22-,25-,26-,27-/m0/s1
InChI Key GOYZKWCPWBKPIG-RNKBQGBYSA-N
Canonical SMILES CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)C(C(=O)OC)O)C
CAS
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Other Names 6-Hydroxyangolensic acid methyl ester;
7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 4-(3-furanyl)undecahydro-α-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-, methyl ester, (αR,4S,4aS,7aR,8R,11aS,12aS)-

In Other Databases

ChEMBL CHEMBL1170898
PubChem 6708540
ChemSpider 5140694