Terpestacin

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Systematic / IUPAC Name: (3aR,5E,7S,10E,14E,16aS)-2,7-Dihydroxy-3-[(2S)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3aH)-one

ID: Reference7819

Other Names: (−)-Terpestacin;
1(3aH)-Cyclopentacyclopentadecenone, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a-tetramethyl-, (3aR,5E,7S,10E,14E,16aS)-

Formula: C25H38O4

Spectral Data

Terpestacin 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 4/20/2018 7:01:41 AM
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Identificators

InChI InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7+,17-13+,18-10+/t19-,20-,21+,25+/m1/s1
InChI Key UTGBBPSEQPITLF-IXRUDUFRSA-N
Canonical SMILES CC1=CCCC(=CCC2(C(CC=C(C(CC1)O)C)C(=C(C2=O)O)C(C)CO)C)C
CAS
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Other Names (−)-Terpestacin;
1(3aH)-Cyclopentacyclopentadecenone, 4,7,8,9,12,13,16,16a-octahydro-2,7-dihydroxy-3-[(1S)-2-hydroxy-1-methylethyl]-6,10,14,16a-tetramethyl-, (3aR,5E,7S,10E,14E,16aS)-

In Other Databases

Wikipedia Terpestacin
ChEMBL CHEMBL1669042
ChemSpider 4976965
PubChem 6475118