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12-ACETYL-TOTARA-8,11,13-TRIEN-13-OL
SpectraBase Compound ID 1csCbgv1qSa
InChI InChI=1S/C22H32O2/c1-13(2)19-15-8-9-18-21(4,5)10-7-11-22(18,6)17(15)12-16(14(3)23)20(19)24/h12-13,18,24H,7-11H2,1-6H3/t18-,22+/m0/s1
InChIKey NAEXXLVHAVJLNA-PGRDOPGGSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RjHySt3QT0
Name 1-[(4bS,8aS)-2-hydroxy-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]ethanone
Alternate Name(s) 1-[(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]ethanone 1-[(4bS,8aS)-4b,8,8-trimethyl-2-oxidanyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]ethanone 12-Acetyltotara-8,11,13-trien-13-ol
CAS Registry Number 129456-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-13(2)19-15-8-9-18-21(4,5)10-7-11-22(18,6)17(15)12-16(14(3)23)20(19)24/h12-13,18,24H,7-11H2,1-6H3/t18-,22+/m0/s1
InChIKey NAEXXLVHAVJLNA-PGRDOPGGSA-N
Molecular Weight 328.496 g/mol
SMILES Oc1c(cc2c(c1C(C)C)CC[C@@]1([C@@]2(CCCC1(C)C)C)[H])C(=O)C
SPLASH splash10-0296-6059000000-8c8e723a62497f5eeaef
Source of Spectrum B-43-692-8
Wiley ID 1326807