Trichodesmine

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Catalog Number
ACM548903
Product Name
Trichodesmine
Structure
Structure
CAS
548-90-3
Category
Heterocyclic Organic Compound
Synonyms
(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3-isopropyl-4,5-dimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
Molecular Weight
353.4
Molecular Formula
C18H27O6N
InChI
InChI=1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
InChI Key
SOODLZHDDSGRKL-FOOXYVKASA-N
Melting Point
160-161 °C
Complexity
617
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
5
Exact Mass
353.18383758
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
2
Isomeric SMILES
CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
Monoisotopic Mass
353.18383758
Physical State
Powder
Rotatable Bond Count
1
Topological Polar Surface Area
96.3 Ų
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