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(1'R,2'R,3S,3aR,4S,5'S,6R,6aR,9'R,9aR,9bR,10'R,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹?.0?,?]pentadecan]-14'-en-4-yl acetate

(1'R,2'R,3S,3aR,4S,5'S,6R,6aR,9'R,9aR,9bR,10'R,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹?.0?,?]pentadecan]-14'-en-4-yl acetate

CAS: 62687-22-3

Formula: C32H40O8

SMILES: [H][C@@]12CC[C@@](C)(O)[C@]34C[C@@]5(C(=O)O[C@@]6([H])[C@@]5([H])[C@H](C[C@@](C)(O)[C@]5([H])CC=C(C)[C@]65[H])OC(C)=O)[C@](C)(C=C3)[C@@]4([H])[C@]1([H])OC(=O)C2=C

IUPAC: (1'R,2'R,3S,3aR,4S,5'S,6R,6aR,9'R,9aR,9bR,10'R,11'R)-2',6-dihydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7'-dioxo-3a,4,5,6,6a,7,9a,9b-octahydro-2H-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹?.0?,?]pentadecan]-14'-en-4-yl acetate

InChI: InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23+,24+,25+,28+,29+,30+,31-,32+/m0/s1

Composition: C (69.55%), H (7.30%), O (23.16%)

Molar Mass: 552.664

Atom Count: 80

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 13
Exact Mass 552.272318248
Formal Charge 0
FSP3 0.72
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SZQWAXGDCUONOB-RJRCOPBWSA-N
Lipinski's Rule of Five
Molar Refractivity 145.01
Topological Polar Surface Area 119.36
Polarizability 57.43
Ring Count 7
Rotatable Bond Count 2

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98% <4 Days 62687-22-3 $191.10-$882.88$191.10$324.87$590.88$882.88
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