Text Search
Structure Search

(1S,2R,4R,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.0²,?.0²,?.0¹¹,¹?]octadec-12-en-18-yl acetate

(1S,2R,4R,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.0²,?.0²,?.0¹¹,¹?]octadec-12-en-18-yl acetate

CAS: 18385-59-6

Formula: C28H34O6

SMILES: [H][C@@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=CC(=O)C(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@H](C1=COC=C1)C2=O

IUPAC: (1S,2R,4R,6S,7S,10R,11R,16R,18R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.0²,?.0²,?.0¹¹,¹?]octadec-12-en-18-yl acetate

InChI: InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23+,25-,26+,27+,28-/m1/s1

Composition: C (72.08%), H (7.35%), O (20.57%)

Molar Mass: 466.574

Atom Count: 68

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 9
Exact Mass 466.235538815
Formal Charge 0
FSP3 0.68
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey NEYCGDYQBQONFC-ITZWZEDMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 124.27
Topological Polar Surface Area 86.11
Polarizability 49.14
Ring Count 6
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 18385-59-6 $230.85-$2,107.45$230.85$415.83$624.51$936.39$1,404.97$2,107.45
Request Quote