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29,30-Dinorgammacerane-2,3,22-triol, 21,21-dimethyl-, 3-acetate, (2.alpha.,3.beta.,8.alpha.,9.beta.,13.alpha.,14.beta.,17.alpha.,18.beta.,22.alpha.)-
SpectraBase Compound ID I1OQLRDyW1
InChI InChI=1S/C32H54O4/c1-19(33)36-26-21(34)18-30(7)22(28(26,4)5)13-15-32(9)24(30)11-10-23-29(6)17-16-27(2,3)25(35)20(29)12-14-31(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 JGKNYFYBGWJMDV-KYOALNDWSA-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 3YHCBn7Bei
Name 29,30-Dinorgammacerane-2,3,22-triol, 21,21-dimethyl-, 3-acetate, (2.alpha.,3.beta.,8.alpha.,9.beta.,13.alpha.,14.beta.,17.alpha.,18.beta.,22.alpha.)-
CAS Registry Number 43206-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-19(33)36-26-21(34)18-30(7)22(28(26,4)5)13-15-32(9)24(30)11-10-23-29(6)17-16-27(2,3)25(35)20(29)12-14-31(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 JGKNYFYBGWJMDV-KYOALNDWSA-N
Molecular Weight 502.780 g/mol
SMILES O[C@]1(C2[C@@](C3[C@]([C@]4(C([C@]5(C(C([C@@]([C@](C5)(O)[H])(OC(=O)C)[H])(C)C)CC4)C)CC3)C)(CC2)C)(CCC1(C)C)C)[H]
SPLASH splash10-052r-1490400000-8f3244fd55e92b6860f0
Source of Spectrum O-14-165-5
Synonyms (2S,3S,6aR,6bR,9S,12aR,14bS)-2,9-dihydroxy-4,4,6a,6b,10,10,12a,14b-octamethyldocosahydro-3-picenyl acetate (8.alpha.,14.beta.,18.beta.)-3.beta.-acetyloxy-2.alpha.,22.alpha.-dihydroxy-21,21-dimethyl-29,30-dinorgammacerane 3.beta.-acetoxystictane-2.alpha.,22.alpha.-diol
Wiley ID 1399318