Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-

SpectraBase Compound ID	IB33oMarKtJ
InChI	InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3
InChIKey	DBRXOUCRJQVYJQ-UHFFFAOYSA-N Google Search
Mol Weight	470.6 g/mol
Molecular Formula	C28H38O6
Exact Mass	470.266839 g/mol

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SpectraBase Spectrum ID	2JDwnIWXlQ
Name	Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-
CAS Registry Number	5119-48-2
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H38O6
InChI	InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3
InChIKey	DBRXOUCRJQVYJQ-UHFFFAOYSA-N
Molecular Weight	470.606 g/mol
SMILES	OCC=1C(OC(C(C2CCC3C2(CCC2C4(C5(C(C=CC4=O)O)C(CC32)O5)C)C)C)CC1C)=O
SPLASH	splash10-006y-4920000000-4a1f18b821297256e07c
Source of Spectrum	J-4-8363-1
Synonyms	4-Hydroxy-9-(1-[5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one (4beta,5beta,6beta,22R)-5,6-epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone 5.beta.-Ergosta-2,24-dien-26-oic acid, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)- Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)- Withaferin A Withaferin deriv JPR, IOWA u. compound BRN 1335150 NSC 273757
Wiley ID	1392897