(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione

Catalog No. :: ACQBSW644
CAS No. :: 57423-72-0
Molecular Formula :: C28H34O6
Molecular Weight :: 466.57

IUPAC Name:(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione

(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione structure diagram

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Product Name	(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione
IUPAC Name	(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione
Molecular Formula	C28H34O6
Molecular Weight	466.57
SMILES	CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)C34CC[C@H]5[C@@H](CC=C6CC=CC(=O)[C@@]65C)[C@]3(O)CC[C@@H]42)C1
InChI Key	XXDCTQHRVNTDTI-OZKLRMFXSA-N
Synonym	Withaphysalin A;XXDCTQHRVNTDTI-WBJFYKDLSA-N;(22R)-14,20,22-Trihydroxy-1-oxoergosta-2,5,24-triene-18,26-dioic acid 18,20:26,22-dilactone;Ergosta-2,5,24-triene-18,26-dioic acid, 14,20,22-trihydroxy-1-oxo-, γ-lactone δ-lactone, (22R)-
CAS No.	57423-72-0

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ACQBSW64457423-72-0

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ACQBSW64457423-72-0

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(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione

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1. ACQBSW644 Molecular Building Block Synthetic Route

2. ACQBSW644 Molecular Building Block Synthetic Route

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(3R,3aS,5aR,5bR,11aR,11bS)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5a-hydroxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,8,11a,11b,12,13-dodecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-1,11-dione

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Withaphysalin D

Withaphysalin E

Physaminimin N

(R)-6-((S)-1-hydroxy-1-((4S,8R,9S,10R,13S,14R,17S)-4,14,17-trihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one

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