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Ethyl 3,16.alpha.-diacetoxy-24-nor-5.alpha.-cholan-23-oate
SpectraBase Compound ID 7ygPQVY87kk
InChI InChI=1S/C29H46O6/c1-7-33-26(32)14-17(2)27-25(35-19(4)31)16-24-22-9-8-20-15-21(34-18(3)30)10-12-28(20,5)23(22)11-13-29(24,27)6/h17,20-25,27H,7-16H2,1-6H3/t17?,20-,21?,22?,23?,24?,25+,27?,28?,29?/m0/s1
InChIKey JYPNZHWBSJYVJK-CDJOXAJHSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O6
Exact Mass 490.329439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwEjdqwZ4Fl
Name Ethyl 3,16.alpha.-diacetoxy-24-nor-5.alpha.-cholan-23-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O6
InChI InChI=1S/C29H46O6/c1-7-33-26(32)14-17(2)27-25(35-19(4)31)16-24-22-9-8-20-15-21(34-18(3)30)10-12-28(20,5)23(22)11-13-29(24,27)6/h17,20-25,27H,7-16H2,1-6H3/t17?,20-,21?,22?,23?,24?,25+,27?,28?,29?/m0/s1
InChIKey JYPNZHWBSJYVJK-CDJOXAJHSA-N
Molecular Weight 490.681 g/mol
SMILES C12(C(C3CC[C@@]4(C(C3CC2)(CCC(OC(=O)C)C4)C)[H])C[C@](C1C(CC(=O)OCC)C)(OC(=O)C)[H])C
SPLASH splash10-001i-0001900000-1eac214e243afc28d535
Source of Spectrum X4-18-576-0
Synonyms Ethyl 3,16-diacetoxy-20-hydroxy-24-nor-5.alpha.-cholan-23-oate Ethyl 3-[(7S,13R)-5,13-bis(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butanoate
Wiley ID 1585568