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1,6,7-Phenanthrenetriol, 2-[2-(acetyloxy)-1-hydroxyethyl]tetradecahydro-2,4b,8,8-tetramethyl-, 1,6,7-triacetate, [1R-[1.alpha.,2.alpha.(R*),4a.beta.,4b.alpha.,6.beta.,7.alpha.,8a.be ta.,10a.alpha.]]-
SpectraBase Compound ID HgqRybH69jy
InChI InChI=1S/C28H44O9/c1-15(29)34-14-23(33)27(7)12-11-20-19(24(27)36-17(3)31)9-10-22-26(5,6)25(37-18(4)32)21(35-16(2)30)13-28(20,22)8/h19-25,33H,9-14H2,1-8H3/t19-,20+,21-,22+,23?,24+,25+,27-,28-/m0/s1
InChIKey UKQKWLSAWVYTMO-NZLZXICUSA-N
Mol Weight 524.7 g/mol
Molecular Formula C28H44O9
Exact Mass 524.298533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Cpa8DzDCJO
Name 1,6,7-Phenanthrenetriol, 2-[2-(acetyloxy)-1-hydroxyethyl]tetradecahydro-2,4b,8,8-tetramethyl-, 1,6,7-triacetate, [1R-[1.alpha.,2.alpha.(R*),4a.beta.,4b.alpha.,6.beta.,7.alpha.,8a.be ta.,10a.alpha.]]-
Alternate Name(s) (2beta,3alpha,5beta,8alpha,9beta,10alpha,14alpha)-2,14,16-tris(acetyloxy)-15-hydroxypimaran-3-yl acetate 2.beta.,3.alpha.,14.alpha.,16-tetracetoxy-15.beta.-hydroxy-ent-pimarane
CAS Registry Number 128722-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O9
InChI InChI=1S/C28H44O9/c1-15(29)34-14-23(33)27(7)12-11-20-19(24(27)36-17(3)31)9-10-22-26(5,6)25(37-18(4)32)21(35-16(2)30)13-28(20,22)8/h19-25,33H,9-14H2,1-8H3/t19-,20+,21-,22+,23?,24+,25+,27-,28-/m0/s1
InChIKey UKQKWLSAWVYTMO-NZLZXICUSA-N
Molecular Weight 524.651 g/mol
SMILES OC([C@@]1(CC[C@]2([C@]3([C@@](C(C)(C)[C@@]([C@](C3)(OC(=O)C)[H])(OC(=O)C)[H])(CC[C@@]2([C@]1(OC(=O)C)[H])[H])[H])C)[H])C)COC(=O)C
SPLASH splash10-0006-9200000000-9a8790d6b05847d022c1
Source of Spectrum F-46-1928-2
Wiley ID 1402523