7.alpha.-[9-(4-Methylbenzylsulfonyloxy)nonyl]-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol

SpectraBase Compound ID	10wbG3RPX5h
InChI	InChI=1S/C36H52O7S/c1-25-12-15-29(16-13-25)44(39,40)43-20-10-8-6-4-5-7-9-11-26-21-27-22-28(42-24-41-3)14-17-30(27)31-18-19-36(2)32(34(26)31)23-33(37)35(36)38/h12-17,22,26,31-35,37-38H,4-11,18-21,23-24H2,1-3H3/t26-,31-,32+,33+,34-,35+,36+/m1/s1
InChIKey	UVOUQRLMRGGLQN-JKTMCIKXSA-N Google Search
Mol Weight	628.9 g/mol
Molecular Formula	C36H52O7S
Exact Mass	628.343375 g/mol

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SpectraBase Spectrum ID	Fm7wJHwt9Gz
Name	7.alpha.-[9-(4-Methylbenzylsulfonyloxy)nonyl]-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H52O7S
InChI	InChI=1S/C36H52O7S/c1-25-12-15-29(16-13-25)44(39,40)43-20-10-8-6-4-5-7-9-11-26-21-27-22-28(42-24-41-3)14-17-30(27)31-18-19-36(2)32(34(26)31)23-33(37)35(36)38/h12-17,22,26,31-35,37-38H,4-11,18-21,23-24H2,1-3H3/t26-,31-,32+,33+,34-,35+,36+/m1/s1
InChIKey	UVOUQRLMRGGLQN-JKTMCIKXSA-N
Molecular Weight	628.865 g/mol
SMILES	O[C@@]1([C@@]2([C@@](C[C@@]1(O)[H])([C@]1([C@](CC2)(c2c(C[C@]1(CCCCCCCCCOS(c1ccc(cc1)C)(=O)=O)[H])cc(cc2)OCOC)[H])[H])[H])C)[H]
SPLASH	splash10-00dm-0000940000-ec7ec2c511aa84f6f581
Source of Spectrum	K-2002-2278-12
Synonyms	9-[(7alpha,16beta,17beta)-16,17-dihydroxy-3-(methoxymethoxy)estra-1,3,5(10)-trien-7-yl]nonyl 4-methylbenzenesulfonate 9-[(7R,8R,9S,13S,14S,16S,17R)-16,17-dihydroxy-3-(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]nonyl 4-methylbenzenesulfonate 9-[(7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-16,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]nonyl 4-methylbenzenesulfonate
Wiley ID	1613183