(1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dione | C30H44O7 | CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(O)C4(C)C)[C@]3(C)C(=O)C[C@]12C | ArZ-UP483693, CFN95326, X217851, ZX-CY005469 | Chemspace

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Home CSSS06256040603

Structure Info

Chemspace ID: CSSS06256040603 (In-Stock Screening Compounds)

IUPAC Name: (1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dione

Mol formula: C₃₀H₄₄O₇

Mol weight: 517 Da

Catalog Number(s): ArZ-UP483693, CFN95326, X217851, ZX-CY005469

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INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 2.34

Heavy atoms count: 37

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.766

Polar surface area (Å): 132

Hydrogen bond acceptors count: 7

Hydrogen bond donors count: 4

: Zoom the structure; CSSS06256040603

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