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2(3H)-Phenanthrenone, 8-(1,1-dimethylethoxy)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-8a-methyl-1- [2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-, [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.)]-
SpectraBase Compound ID 8LGYNVC5VOY
InChI InChI=1S/C28H46O4/c1-25(2,3)32-24-10-8-9-22-20-11-12-23(29)21(19(20)13-15-27(22,24)6)14-16-28(7)30-17-26(4,5)18-31-28/h20,22,24H,8-18H2,1-7H3/t20-,22+,24+,27+/m0/s1
InChIKey YIUWBSABDZRZQP-JFXIUAIZSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22sRnUoLLv
Name 2(3H)-Phenanthrenone, 8-(1,1-dimethylethoxy)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-8a-methyl-1- [2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-, [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.)]-
Alternate Name(s) (4aR,4bR,8R,8aR)-8-tert-butoxy-8a-methyl-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-4,4a,4b,5,6,7,8,8a,9,10-decahydro-2(3H)-phenanthrenone 17a.beta.-(t-Butoxy)-3,3-(2',2'-dimethyltrimethylen)dioxy-D-homo-4,5-seco-9-estren-5-one
CAS Registry Number 61921-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-25(2,3)32-24-10-8-9-22-20-11-12-23(29)21(19(20)13-15-27(22,24)6)14-16-28(7)30-17-26(4,5)18-31-28/h20,22,24H,8-18H2,1-7H3/t20-,22+,24+,27+/m0/s1
InChIKey YIUWBSABDZRZQP-JFXIUAIZSA-N
Molecular Weight 446.672 g/mol
SMILES C12=C(C(=O)CC[C@@]2([C@]2(CCC[C@]([C@@]2(CC1)C)(OC(C)(C)C)[H])[H])[H])CCC1(OCC(CO1)(C)C)C
SPLASH splash10-004i-3900000000-954212561950fec78026
Source of Spectrum H-61-2404-0
Wiley ID 1386781