| NACRES | NA.12 |
|---|---|
| PubChem Substance ID | 24872407 |
| UNSPSC Code | 12352211 |
| MDL number | MFCD00209699 |
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i9D,13D2,17D2,21D |
| SMILES string | [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)C |
| InChI key | HVYWMOMLDIMFJA-HHPLMCQASA-N |
| isotopic purity | 97 atom % D |
| assay | 98% (CP) |
| optical activity | [α]20/D -40°, c = 2 in chloroform |
| technique(s) | mass spectrometry (MS): suitable |
| bp | 360 °C (lit.) |
| mp | 147-149 °C (lit.) |
| density | 1.088 g/mL at 25 °C |
| mass shift | M+6 |
| storage temp. | −20°C |
| Quality Level | 200 |
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