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Aplysin-20
SpectraBase Compound ID IleIDZipOdA
InChI InChI=1S/C20H35BrO2/c1-14(10-13-22)6-7-16-19(4)11-9-17(21)18(2,3)15(19)8-12-20(16,5)23/h10,15-17,22-23H,6-9,11-13H2,1-5H3/b14-10+
InChIKey VUFPGDSZNJURQC-GXDHUFHOSA-N
Mol Weight 387.4 g/mol
Molecular Formula C20H35BrO2
Exact Mass 386.182043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJevgqrkbrG
Name 2-Naphthalenol, 6-bromodecahydro-1-(5-hydroxy-3-methyl-3-pentenyl)-2,5,5,8a-tetramethyl-, [1S-[1.alpha.(E),2.alpha.,4a.beta.,6.alpha.,8a.alpha.]]-
CAS Registry Number 17941-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35BrO2
InChI InChI=1S/C20H35BrO2/c1-14(10-13-22)6-7-16-19(4)11-9-17(21)18(2,3)15(19)8-12-20(16,5)23/h10,15-17,22-23H,6-9,11-13H2,1-5H3/b14-10+
InChIKey VUFPGDSZNJURQC-GXDHUFHOSA-N
Molecular Weight 387.402 g/mol
SMILES OC1(C(CC\C(=C\CO)C)C2(CCC(C(C2CC1)(C)C)Br)C)C
SPLASH splash10-0006-9410000000-38a583385b68522ddee0
Source of Spectrum AJ-44-2562-1
Synonyms 6-Bromo-1-[(3E)-5-hydroxy-3-methyl-3-pentenyl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenol 5.beta.,9.beta.H,10.alpha.-Labd-13-ene-8,15-diol, 3.alpha.-bromo-, (E)- 6-Bromanyl-2,5,5,8a-tetramethyl-1-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol 6-Bromo-1-[(E)-5-hydroxy-3-methyl-pent-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol 6-Bromo-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol Aplysin 20
Wiley ID 1362579