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16,28-Secosolanid-5-ene-3,16-diol, 28-acetyl-, diacetate (ester), (3.beta.,16.beta.,22.alpha.,25.beta.)-
SpectraBase Compound ID Kodq4BfTaj1
InChI InChI=1S/C33H51NO5/c1-19-8-11-29(34(18-19)21(3)35)20(2)31-30(39-23(5)37)17-28-26-10-9-24-16-25(38-22(4)36)12-14-32(24,6)27(26)13-15-33(28,31)7/h9,19-20,25-31H,8,10-18H2,1-7H3/t19-,20-,25+,26-,27+,28+,29-,30-,31+,32+,33+/m1/s1
InChIKey MIKZDUSONFWULG-ATMBLTIOSA-N
Mol Weight 541.8 g/mol
Molecular Formula C33H51NO5
Exact Mass 541.376724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2L8A3Ze6FaV
Name 16,28-Secosolanid-5-ene-3,16-diol, 28-acetyl-, diacetate (ester), (3.beta.,16.beta.,22.alpha.,25.beta.)-
CAS Registry Number 18098-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H51NO5
InChI InChI=1S/C33H51NO5/c1-19-8-11-29(34(18-19)21(3)35)20(2)31-30(39-23(5)37)17-28-26-10-9-24-16-25(38-22(4)36)12-14-32(24,6)27(26)13-15-33(28,31)7/h9,19-20,25-31H,8,10-18H2,1-7H3/t19-,20-,25+,26-,27+,28+,29-,30-,31+,32+,33+/m1/s1
InChIKey MIKZDUSONFWULG-ATMBLTIOSA-N
Molecular Weight 541.773 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(C[C@]([C@@]1([C@@]([C@@]1(N(C(=O)C)C[C@@](CC1)(C)[H])[H])(C)[H])[H])(OC(=O)C)[H])[H])C
SPLASH splash10-0006-2900020000-922f575896944f1a1dad
Source of Spectrum B-32-812-0
Synonyms (22S,25R)-22,26-acetylepiminocholest-5-ene-3.beta.,16.beta.-diol diacetate (3beta,16alpha,20S)-20-[(2R,5R)-1-acetyl-5-methylpiperidinyl]-16-(acetyloxy)pregn-5-en-3-yl acetate 3-Pipecoline, 1-acetyl-6-(3.beta.,16.beta.-dihydroxypregn-5-en-20.alpha.-yl)-, diacetate (ester) N,O,O-solaverbascine triacetate N,O,O-triacetyldihydrosolasodine A N,O,O-triacetylsolaverbascine N-acetyldihydrosolasodine A diacetate Pregn-5-ene-3.beta.,16.beta.-diol, 20.alpha.-(1-acetyl-5-methyl-2-piperidyl)-, diacetate (ester)
Wiley ID 1404753