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Benzenesulfinic acid, 4-methyl-, 2-[3-(acetyloxy)dodecahydro-3a,6-dimethylspiro[7H-benz[e]indene-7,2'-[1,3]dioxolan]-6-yl]ethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID 4l7d97zW3eD
InChI InChI=1S/C28H40O6S/c1-19-5-7-21(8-6-19)35(30)33-16-15-27(4)24-12-13-26(3)23(9-10-25(26)34-20(2)29)22(24)11-14-28(27)31-17-18-32-28/h5-8,22-25H,9-18H2,1-4H3
InChIKey XVEOHCUXTYXHTA-UHFFFAOYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C28H40O6S
Exact Mass 504.25456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERtLYrJZR8I
Name Benzenesulfinic acid, 4-methyl-, 2-[3-(acetyloxy)dodecahydro-3a,6-dimethylspiro[7H-benz[e]indene-7,2'-[1,3]dioxolan]-6-yl]ethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-
CAS Registry Number 98734-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O6S
InChI InChI=1S/C28H40O6S/c1-19-5-7-21(8-6-19)35(30)33-16-15-27(4)24-12-13-26(3)23(9-10-25(26)34-20(2)29)22(24)11-14-28(27)31-17-18-32-28/h5-8,22-25H,9-18H2,1-4H3
InChIKey XVEOHCUXTYXHTA-UHFFFAOYSA-N
Molecular Weight 504.682 g/mol
SMILES C12(C(C3CCC4(C(C3CC2)(CCOS(c2ccc(cc2)C)=O)C)OCCO4)CCC1OC(=O)C)C
SPLASH splash10-0002-9006000000-280cee95fba933edafd7
Source of Spectrum KC-1985-1202-5
Synonyms Spiro[7H-benz[e]indene-7,2'-[1,3]dioxolane], benzenesulfinic acid deriv. 5,5-Ethylenedioxy-3,4-dinor-2,5-secoandrostane-2,17.beta.-diol 17-acetate 2-toluene-p-sulphinate 6',10'-dimethyl-10'-(2-{[(4-methylbenzene)sulfinyl]oxy}ethyl)spiro[1,3-dioxolane-2,11'-tricyclo[7.4.0.0(2,6)]tridecane]-5'-yl acetate
Wiley ID 1399572