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(4aS,10aS)-6-bromanyl-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
SpectraBase Compound ID GLwBPxKUL2h
InChI InChI=1S/C21H31BrO/c1-13(2)18-14-8-9-17-20(3,4)10-7-11-21(17,5)15(14)12-16(22)19(18)23-6/h12-13,17H,7-11H2,1-6H3/t17-,21+/m0/s1
InChIKey GNXIHRXUXDYFEB-LAUBAEHRSA-N
Mol Weight 379.38 g/mol
Molecular Formula C21H31BrO
Exact Mass 378.155829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyYhGfE4BJS
Name (4aS,10aS)-6-bromanyl-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CAS Registry Number 84104-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrO
InChI InChI=1S/C21H31BrO/c1-13(2)18-14-8-9-17-20(3,4)10-7-11-21(17,5)15(14)12-16(22)19(18)23-6/h12-13,17H,7-11H2,1-6H3/t17-,21+/m0/s1
InChIKey GNXIHRXUXDYFEB-LAUBAEHRSA-N
Molecular Weight 379.382 g/mol
SMILES c12c(c(C(C)C)c(c(c2)Br)OC)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]
SPLASH splash10-0159-1097000000-b264a2703da7d2f66b02
Source of Spectrum B-35-1692-0
Synonyms (4aS,10aS)-6-bromo-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene (4aS,10aS)-6-bromo-8-isopropyl-7-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene 12-Bromo-13-methoxytotara-8,11,13-triene
Wiley ID 1358807