(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalenyl (4-methylphenyl)carbamate

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Systematic / IUPAC Name: [(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-(4-methylphenyl)carbamate

ID: Reference13098

Other Names: NAT8-282852

Formula: C27H40N2O5

Spectral Data

(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]decahydro-2-naphthalenyl (4-methylphenyl)carbamate 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
No. of Spectral Trees 1
No. of Spectra 2635
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/12/2024 10:08:19 AM
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Identificators

InChI InChI=1S/C27H40N2O5/c1-18-6-8-19(9-7-18)28-25(33)34-23-12-13-26(2)20(16-24(32)29-14-4-5-15-29)21(31)10-11-22(26)27(23,3)17-30/h6-9,20-23,30-31H,4-5,10-17H2,1-3H3,(H,28,33)/t20-,21-,22?,23-,26+,27+/m1/s1
InChI Key HANSWAWYTRECAL-RIUWZUAQSA-N
Canonical SMILES CC1=CC=C(C=C1)NC(=O)OC2CCC3(C(C2(C)CO)CCC(C3CC(=O)N4CCCC4)O)C
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Other Names NAT8-282852

In Other Databases

ChEMBL CHEMBL4942778
PubChem 45361691
ChemSpider 21388809