(1R,2R,4aR,5S,6R)-5-[2-(Benzylamino)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl [3-(methylsulfanyl)phenyl]carbamate

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Systematic / IUPAC Name: [(1R,2R,4aR,5S,6R)-5-[2-(Benzylamino)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-(3-methylsulfanylphenyl)carbamate

ID: Reference13107

Other Names: NAT8-282921

Formula: C30H40N2O5S

Spectral Data

(1R,2R,4aR,5S,6R)-5-[2-(Benzylamino)-2-oxoethyl]-6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyldecahydro-2-naphthalenyl [3-(methylsulfanyl)phenyl]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 3355
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/19/2024 3:00:53 PM
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Identificators

InChI InChI=1S/C30H40N2O5S/c1-29-15-14-26(37-28(36)32-21-10-7-11-22(16-21)38-3)30(2,19-33)25(29)13-12-24(34)23(29)17-27(35)31-18-20-8-5-4-6-9-20/h4-11,16,23-26,33-34H,12-15,17-19H2,1-3H3,(H,31,35)(H,32,36)/t23-,24-,25?,26-,29+,30+/m1/s1
InChI Key INIPCJLWGHSHHR-RZBDPTGASA-N
Canonical SMILES CC12CCC(C(C1CCC(C2CC(=O)NCC3=CC=CC=C3)O)(C)CO)OC(=O)NC4=CC(=CC=C4)SC
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Other Names NAT8-282921

In Other Databases

ChemSpider 21388837
PubChem 23983671