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Chemical structure of Remisporine B

GC48420

Remisporine B

Also known as dimethyl (1S,12S,14S,15R,27R)-8,14,23-trihydroxy-6,21-dimethyl-10,25-dioxo-3,13,18-trioxaheptacyclo[13.11.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),4,6,8,17(26),19,21,23-octaene-12,14-dicarboxylate

A polyketide with immunosuppressant activity

ChemicalCAS571194-06-4MW576.5FormulaC30H24O12
CAS number
571194-06-4
Molecular weight
576.5
Formula
C30H24O12
InChIKey
RRGJMIUFDPLICY-JJEZGDBSSA-N
Catalogue number
GC48420
Brand
GLPBIO
Computed properties PubChem CID 155859171 · XLogP 2.9 · TPSA 175 Ų · H-bond donors 3
XLogP
2.9
TPSA
175 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
4
Heavy atoms
42

SMILES CC1=CC(=C2C(=C1)OC3=C(C2=O)[C@@H]4[C@@H]5[C@@H](C3)[C@](O[C@@]5(C6=C4OC7=CC(=CC(=C7C6=O)O)C)C(=O)OC)(C(=O)OC)O)O

Computed descriptors from PubChem (CID 155859171), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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