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A'-Neogammacerane-6,16,22-triol, 6-acetate, (6.alpha.,16.beta.)-
SpectraBase Compound ID 3zS8jSjbAqa
InChI InChI=1S/C32H54O4/c1-19(33)36-22-18-32(9)24(30(7)15-10-14-27(2,3)26(22)30)12-11-23-29(6)16-13-20(28(4,5)35)25(29)21(34)17-31(23,32)8/h20-26,34-35H,10-18H2,1-9H3/t20?,21-,22-,23?,24?,25?,26?,29?,30?,31?,32?/m0/s1
InChIKey VXNFCASCDKAKFQ-FJHYHBPTSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z1mJC5VUvy
Name A'-Neogammacerane-6,16,22-triol, 6-acetate, (6.alpha.,16.beta.)-
CAS Registry Number 10389-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-19(33)36-22-18-32(9)24(30(7)15-10-14-27(2,3)26(22)30)12-11-23-29(6)16-13-20(28(4,5)35)25(29)21(34)17-31(23,32)8/h20-26,34-35H,10-18H2,1-9H3/t20?,21-,22-,23?,24?,25?,26?,29?,30?,31?,32?/m0/s1
InChIKey VXNFCASCDKAKFQ-FJHYHBPTSA-N
Molecular Weight 502.780 g/mol
SMILES O[C@@]1(C2C(C(O)(C)C)CCC2(C2CCC3C(C2(C1)C)(C[C@@](C1C3(CCCC1(C)C)C)(OC(=O)C)[H])C)C)[H]
SPLASH splash10-053j-0934300000-82ba2aaf1f7624472110
Source of Spectrum B-35-644-2
Synonyms (4S,7S)-4-hydroxy-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-7-yl acetate 16.beta.-acetoxyhopane-6.alpha.,22-diol 1H-cyclopenta[a]chrysene, a'-neogammacerane-6,16,22-triol deriv 6.alpha.-acetoxyhopane-16.beta.,22-diol A'-neogammacerane-6.alpha.,16.beta.,22-triol, 6-acetate Leucotylin acetate
Wiley ID 1399322