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13,13-DIMETHOXY-TOTARA-8(14),9(11)-DIEN-12-ONE
SpectraBase Compound ID GROQOty64gu
InChI InChI=1S/C22H34O3/c1-14(2)19-15-9-10-17-20(3,4)11-8-12-21(17,5)16(15)13-18(23)22(19,24-6)25-7/h13-14,17H,8-12H2,1-7H3/t17-,21+/m0/s1
InChIKey KSYVXVOADSKZOQ-LAUBAEHRSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1VCoyi9IIf
Name (4bS,8aS)-1-isopropyl-2,2-dimethoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
Alternate Name(s) (4bS,8aS)-2,2-dimethoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
CAS Registry Number 129456-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-14(2)19-15-9-10-17-20(3,4)11-8-12-21(17,5)16(15)13-18(23)22(19,24-6)25-7/h13-14,17H,8-12H2,1-7H3/t17-,21+/m0/s1
InChIKey KSYVXVOADSKZOQ-LAUBAEHRSA-N
Molecular Weight 346.511 g/mol
SMILES C1=2C(=C(C(C)C)C(C(C2)=O)(OC)OC)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]
SPLASH splash10-0zgl-5029000000-9c9a762162efb642c43d
Source of Spectrum B-43-695-27
Wiley ID 1339641