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Leucotylin 6,16-diacetate
SpectraBase Compound ID 1d8nQZHaOhQ
InChI InChI=1S/C34H56O5/c1-20(35)38-23-18-33(9)25(31(7)17-14-22(27(23)31)30(5,6)37)12-13-26-32(8)16-11-15-29(3,4)28(32)24(39-21(2)36)19-34(26,33)10/h22-28,37H,11-19H2,1-10H3
InChIKey RPKCITIBMZPVBD-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C34H56O5
Exact Mass 544.412775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekhv09pQwXw
Name A'-Neogammacerane-6,16,22-triol, 6,16-diacetate, (6a,16.beta.)-
CAS Registry Number 10376-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H56O5
InChI InChI=1S/C34H56O5/c1-20(35)38-23-18-33(9)25(31(7)17-14-22(27(23)31)30(5,6)37)12-13-26-32(8)16-11-15-29(3,4)28(32)24(39-21(2)36)19-34(26,33)10/h22-28,37H,11-19H2,1-10H3
InChIKey RPKCITIBMZPVBD-UHFFFAOYSA-N
Molecular Weight 544.817 g/mol
SMILES OC(C1C2C(CC3(C4(C(C5(CCCC(C5C(C4)OC(=O)C)(C)C)C)CCC3C2(CC1)C)C)C)OC(=O)C)(C)C
SPLASH splash10-00kr-0903600000-9b1982ceb14ffd7b68cc
Source of Spectrum B-35-644-2
Synonyms 1H-cyclopenta[a]chrysene, a'-neogammacerane-6,16,22-triol deriv. 4-(acetyloxy)-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-7-yl acetate 6.alpha.,16.beta.-diacetoxy-hopan-22-ol A'-neogammacerane-6.alpha.,16.beta.,22-triol, 6,16-diacetate Leucotylin diacetate Leucotylin, 6,16-diacetate
Wiley ID 1405107