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Occelasterol acetate
SpectraBase Compound ID 5i39OlCqMAt
InChI InChI=1S/C29H46O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-20,23-27H,7,11-18H2,1-6H3/b9-8+/t19-,20+,23?,24?,25?,26?,27?,28?,29?/m0/s1
InChIKey WCDVLDYKHQSQHS-AISSMOCVSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XYxXqujghL
Name Occelasterol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-20,23-27H,7,11-18H2,1-6H3/b9-8+/t19-,20+,23?,24?,25?,26?,27?,28?,29?/m0/s1
InChIKey WCDVLDYKHQSQHS-AISSMOCVSA-N
Molecular Weight 426.685 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC(OC(=O)C)C4)C)CCC1[C@@](\C=C\[C@](CC)(C)[H])(C)[H])C
SPLASH splash10-014i-7935000000-53772eb3712c3c0b1297
Source of Spectrum SD-1992-0-0
Synonyms 2,15-dimethyl-14-[(2R,3E,5S)-5-methylhept-3-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
Wiley ID 1380150