(1S,5S,6S,9S,11R,12S,13S,14R,15R)-6-(3-Furyl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.01,15 02,12 05,11 09,11]henicos-19-en-13-yl 3-methylbutanoate

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Systematic / IUPAC Name: (1S,5S,6S,9S,11R,12S,13S,14R,15R)-6-(3-Furyl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.01,15 02,12 05,11 09,11]henicos-19-en-13-yl 3-methylbutanoate

ID: Reference7690

Other Names: Butanoic acid, 3-methyl-, (3aR,4R,5S,5aS,5bR,6aS,9S,9aS,11bS)-9-(3-furanyl)-4,5,5a,6a,7,9,9a,10,11,11a-decahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7,14-dioxo-1H,3H-11b,3a-[1]propenofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-5-yl ester

Formula: C31H38O9

Spectral Data

(1S,5S,6S,9S,11R,12S,13S,14R,15R)-6-(3-Furyl)-14-hydroxy-5,12,16,16-tetramethyl-8,21-dioxo-7,10,17-trioxahexacyclo[13.3.3.01,15 02,12 05,11 09,11]henicos-19-en-13-yl 3-methylbutanoate 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 4/4/2018 9:11:04 AM
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Identificators

InChI InChI=1S/C31H38O9/c1-16(2)13-20(33)38-23-21(34)30-19(32)8-11-29(30,15-37-26(30,3)4)18-7-10-27(5)22(17-9-12-36-14-17)39-25(35)24-31(27,40-24)28(18,23)6/h8-9,11-12,14,16,18,21-24,34H,7,10,13,15H2,1-6H3/t18?,21-,22-,23+,24+,27-,28-,29-,30-,31+/m0/s1
InChI Key UXWZSYLQGDNSBZ-IDYLVBANSA-N
Canonical SMILES CC(C)CC(=O)OC1C(C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C)O
CAS
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Other Names Butanoic acid, 3-methyl-, (3aR,4R,5S,5aS,5bR,6aS,9S,9aS,11bS)-9-(3-furanyl)-4,5,5a,6a,7,9,9a,10,11,11a-decahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7,14-dioxo-1H,3H-11b,3a-[1]propenofuro[3',4':5,6]naphth[2,1-c]oxireno[d]pyran-5-yl ester

In Other Databases

ChemSpider 29814707
PubChem 57509352