(3Z,9Z)-1,11,13-trihydroxy-10-(hydroxymethyl)-3,6,6,14-tetramethyltricyclo[10.3.0.0?,?]pentadeca-3,9-dien-2-one

(3Z,9Z)-1,11,13-trihydroxy-10-(hydroxymethyl)-3,6,6,14-tetramethyltricyclo[10.3.0.0?,?]pentadeca-3,9-dien-2-one

CAS: 93551-00-9

Formula: C20H30O5

SMILES: CC1CC2(O)C(C1O)C(O)C(CO)=C/CC1C(C=C(C)/C2=O)C1(C)C

IUPAC: (3Z,9Z)-1,11,13-trihydroxy-10-(hydroxymethyl)-3,6,6,14-tetramethyltricyclo[10.3.0.0?,?]pentadeca-3,9-dien-2-one

InChI: InChI=1/C20H30O5/c1-10-7-14-13(19(14,3)4)6-5-12(9-21)17(23)15-16(22)11(2)8-20(15,25)18(10)24/h5,7,11,13-17,21-23,25H,6,8-9H2,1-4H3/b10-7-,12-5-

Composition: C (68.55%), H (8.63%), O (22.83%)

Molar Mass: 350.455

Atom Count: 55

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	7
Exact Mass	350.209324066
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	XKXYJTIBKZGIPR-YDYNUCMUNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.19
Topological Polar Surface Area	97.99
Polarizability	37.47
Ring Count	3
Rotatable Bond Count	1

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