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2-Pentenoic acid, 5-(1,2,3,4,5,6-hexahydro-1,5,5-trimethyl-3a,6-ethano-3aH-inden-4-yl)-4-hydroxy-2-methyl-, [1S-[1.alpha.,3a.beta.,4.beta.(2E,4S*),6.beta.]]-
SpectraBase Compound ID 29cUefagnVX
InChI InChI=1S/C20H30O3/c1-12-5-7-20-8-6-14(10-16(12)20)19(3,4)17(20)11-15(21)9-13(2)18(22)23/h9-10,12,14-15,17,21H,5-8,11H2,1-4H3,(H,22,23)/b13-9+/t12-,14-,15-,17?,20-/m0/s1
InChIKey UAQIXHWEGGZUQV-LKBMKVQUSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jf9TyuZb1j
Name 2-Pentenoic acid, 5-(1,2,3,4,5,6-hexahydro-1,5,5-trimethyl-3a,6-ethano-3aH-inden-4-yl)-4-hydroxy-2-methyl-, [1S-[1.alpha.,3a.beta.,4.beta.(2E,4S*),6.beta.]]-
Alternate Name(s) 3a,6-Ethano-3aH-indene, 2-pentenoic acid deriv. (2E,4R)-4-hydroxy-2-methyl-5-[(1R,4S,7S)-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-5-en-9-yl]-2-pentenoic acid 4,8,8-Trimethyl-9-(2-hydroxy-4-hydroxycarbonyl-4-pentenyl)-tricyclo[5.2.2.0(1,5)]undecan-4-ene 4,8,8-Trimethyl-9-(2-hydroxy-4-hydroxycarbonyl-4-pentenyl)tricyclo[5.2.2.0(1,5)]undec-5-ene
CAS Registry Number 99534-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-5-7-20-8-6-14(10-16(12)20)19(3,4)17(20)11-15(21)9-13(2)18(22)23/h9-10,12,14-15,17,21H,5-8,11H2,1-4H3,(H,22,23)/b13-9+/t12-,14-,15-,17?,20-/m0/s1
InChIKey UAQIXHWEGGZUQV-LKBMKVQUSA-N
Molecular Weight 318.457 g/mol
SMILES OC(\C(=C\[C@@](CC1[C@@]23C(=C[C@@](CC3)([H])C1(C)C)[C@@](C)(CC2)[H])(O)[H])C)=O
SPLASH splash10-001i-0900000000-00c796df79de1e24481a
Source of Spectrum B-38-1356-4
Wiley ID 1318796