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(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-9,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1?,?.0²,?]tetracosa-5,7,14-triene-3,4-dione

(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-9,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1?,?.0²,?]tetracosa-5,7,14-triene-3,4-dione

CAS: 183202-73-5

Formula: C29H42O6

SMILES: C[C@H]1[C@H]2CC[C@H](C)C=C(C)C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=O)C([C@H](O2)[C@H](C)[C@H]1O)C4=C3

IUPAC: (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-9,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1?,?.0²,?]tetracosa-5,7,14-triene-3,4-dione

InChI: InChI=1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22-24,28,30,33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18+,19+,22+,23?,24-,28+,29-/m0/s1

Composition: C (71.58%), H (8.70%), O (19.73%)

Molar Mass: 486.649

Atom Count: 77

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 10
Exact Mass 486.298139072
Formal Charge 0
FSP3 0.72
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey OPRMEAXDCSIVJB-NIXBLEKVSA-N
Lipinski's Rule of Five
Molar Refractivity 137.51
Topological Polar Surface Area 93.06
Polarizability 53.28
Ring Count 4
Rotatable Bond Count 0

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