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12,13-DIHYDROXY-14-ISOPROPYL-PODOCARPA-8,11,13-TRIENE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

12,13-DIHYDROXY-14-ISOPROPYL-PODOCARPA-8,11,13-TRIENE
SpectraBase Compound ID NDOrfQXxZH
InChI InChI=1S/C20H30O2/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(21)18(17)22/h11-12,16,21-22H,6-10H2,1-5H3/t16-,20+/m0/s1
InChIKey QBIVWQLRWPGBLK-OXJNMPFZSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ruHOq09fly
Name (4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CAS Registry Number 84104-87-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-12(2)17-13-7-8-16-19(3,4)9-6-10-20(16,5)14(13)11-15(21)18(17)22/h11-12,16,21-22H,6-10H2,1-5H3/t16-,20+/m0/s1
InChIKey QBIVWQLRWPGBLK-OXJNMPFZSA-N
Molecular Weight 302.458 g/mol
SMILES Oc1c(c(c2c(c1)[C@@]1([C@@](CC2)(C(CCC1)(C)C)[H])C)C(C)C)O
SPLASH splash10-0frl-5395000000-57be1a7318caf3a76d90
Source of Spectrum B-43-694-2
Synonyms (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
Wiley ID 1305143