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4-Dehydrowithaferin A
[CAS# 6850-30-2]

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CAS#: 6850-30-2
Product: 4-Dehydrowithaferin A
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Identification
Name 4-Dehydrowithaferin A
Synonyms Ergosta-2,24-Dien-26-Oic Acid, 5,6-Epoxy-22,27-Dihydroxy-1,4-Dioxo-, Delta-Lactone, (5Beta,6Beta,22R)-; 4-Dwa
Molecular Structure CAS#: 6850-30-2, 4-Dehydrowithaferin A
Molecular Formula C28H36O6
Molecular Weight 468.59
CAS Registry Number 6850-30-2
SMILES [C@@]123O[C@@H]1C[C@@H]4[C@@H]([C@]2(C(=O)C=CC3=O)C)CC[C@]5([C@H]4CC[C@@H]5[C@@H]([C@@H]6OC(=O)C(=C(C6)C)CO)C)C
InChI 1S/C28H36O6/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/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1
InChIKey XGPALHIQWWGRFB-TTWUVOALSA-N
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