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Spirost-5-en-3-yl acetate

View entire compound with spectra: 1 MS (GC)

Spirost-5-en-3-yl acetate
SpectraBase Compound ID 6rWDgDYhYmx
InChI InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21?,22?,23?,24?,25?,26?,27?,28?,29-/m1/s1
InChIKey CZCROZIJKBXZDP-MHBYDENXSA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H44O4
Exact Mass 456.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AJuBRffgt4
Name Spirost-5-en-3-yl acetate
Alternate Name(s) Diosgenin(3.beta.,25R) acetate Diosgenin, acetate Spirost-5-en-3-.beta.-ol, acetate, (25R)- Spirost-5-en-3-ol, acetate, (3.beta.,25R)- Yamogenin acetate EINECS 213-897-0
CAS Registry Number 1061-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O4
InChI InChI=1S/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21?,22?,23?,24?,25?,26?,27?,28?,29-/m1/s1
InChIKey CZCROZIJKBXZDP-MHBYDENXSA-N
Molecular Weight 456.667 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC(OC(=O)C)C4)C)CC2O[C@]3([C@](C12)(C)[H])OC[C@](C)(CC3)[H])C
SPLASH splash10-000f-9810000000-00c039441b9999611647
Source of Spectrum AD-0-2532-0
Wiley ID 1432033