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3.beta.,6.alpha.,23.beta.-triacetoxyhainangenin
SpectraBase Compound ID EMUkYHM2AQE
InChI InChI=1S/C33H50O8/c1-17-12-29(40-21(5)36)33(37-16-17)18(2)30-28(41-33)15-25-23-14-27(39-20(4)35)26-13-22(38-19(3)34)8-10-31(26,6)24(23)9-11-32(25,30)7/h17-18,22-30H,8-16H2,1-7H3/t17-,18+,22+,23?,24?,25?,26-,27+,28?,29+,30?,31-,32+,33+/m1/s1
InChIKey WANHQRZXVMDVFF-MPUMTPELSA-N
Mol Weight 574.8 g/mol
Molecular Formula C33H50O8
Exact Mass 574.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AUX5LFHPs
Name 3.beta.,6.alpha.,23.beta.-triacetoxyhainangenin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H50O8
InChI InChI=1S/C33H50O8/c1-17-12-29(40-21(5)36)33(37-16-17)18(2)30-28(41-33)15-25-23-14-27(39-20(4)35)26-13-22(38-19(3)34)8-10-31(26,6)24(23)9-11-32(25,30)7/h17-18,22-30H,8-16H2,1-7H3/t17-,18+,22+,23?,24?,25?,26-,27+,28?,29+,30?,31-,32+,33+/m1/s1
InChIKey WANHQRZXVMDVFF-MPUMTPELSA-N
Molecular Weight 574.755 g/mol
SMILES [C@@]12(OC3CC4[C@@](C3[C@@]2(C)[H])(CCC2[C@@]3([C@@](C[C@@](OC(=O)C)(CC3)[H])([H])[C@](CC42)(OC(=O)C)[H])C)C)[C@@](OC(=O)C)(C[C@](CO1)(C)[H])[H]
SPLASH splash10-004j-9848500000-de14736d68d384802ec7
Source of Spectrum SI-34-184-5
Synonyms (3beta,5alpha,6alpha,23S,25R)-3,23-bis(acetyloxy)spirostan-6-yl acetate
Wiley ID 64836