Maoecrystal A

C₂₂H₂₈O₆CAS 96850-30-5388.46 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Ether Ketone

Properties

Molecular formula: C₂₂H₂₈O₆
Molar mass: 388.46 g/mol
Exact mass: 388.1886 Da
logP: 1.83Crippen estimate
Polar surface area: 89.9 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 1
Stereocentres: R, R, S, S, S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

96850-30-5

SMILES

CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1(C2)C(=O)[C@H]([C@H]4[C@]35CO[C@@H](C4(C)C)CC5=O)O

InChIKey

DCULYKVTBAXAER-XETVFITMSA-N

InChI

InChI=1S/C22H28O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-17,19,25H,1,5-9H2,2-4H3/t12-,13-,15-,16+,17-,19-,21-,22-/m1/s1

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Same formula

Gomisin J66280-25-9 Quassin76-78-8 Pseudolaric acid A82508-32-5

Elsewhere

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