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Stigmast-7-en-26-oic acid, 2,3,14,20,22,28-hexahydroxy-6-oxo-, .gamma.-lactone, (2.beta.,3.beta.,5.beta.,22R,24S,25S,28R)-

View entire compound with spectra: 2 MS (GC)

Stigmast-7-en-26-oic acid, 2,3,14,20,22,28-hexahydroxy-6-oxo-, .gamma.-lactone, (2.beta.,3.beta.,5.beta.,22R,24S,25S,28R)-
SpectraBase Compound ID 6FgIVdghz52
InChI InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3
InChIKey NEFYSBQJYCICOG-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C29H44O8
Exact Mass 520.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F1QRv5815s
Name Stigmast-7-en-26-oic acid, 2,3,14,20,22,28-hexahydroxy-6-oxo-, .gamma.-lactone, (2.beta.,3.beta.,5.beta.,22R,24S,25S,28R)-
Alternate Name(s) 4-[2,3-dihydroxy-3-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyl-2-oxolanone 4-[2,3-dihydroxy-3-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyl-tetrahydrofuran-2-one 4-[2,3-dihydroxy-3-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyloxolan-2-one 4-[2,3-dihydroxy-3-(2,3,14-trihydroxy-6-keto-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyl-tetrahydrofuran-2-one 4-[3-[10,13-dimethyl-2,3,14-tris(oxidanyl)-6-oxidanylidene-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-bis(oxidanyl)butyl]-3,5-dimethyl-oxolan-2-one 5.beta.-Stigmast-7-en-26-oic acid, 2.beta.,3.beta.,14,20,22,28-hexahydroxy-6-oxo-, .gamma.-lactone, (22R,24S,25S,28R)- Cyasteron Cyasterone AI3-44890
CAS Registry Number 17086-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O8
InChI InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3
InChIKey NEFYSBQJYCICOG-UHFFFAOYSA-N
Molecular Weight 520.663 g/mol
SMILES OC1C(CC2(C(C(C=C3C2CCC2(C(CCC32O)C(C(CC2C(C)C(OC2C)=O)O)(C)O)C)=O)C1)C)O
SPLASH splash10-0abc-9204000000-82a8f8125bfb6328344d
Source of Spectrum EP-2198-0-0
Wiley ID 1401970