| SpectraBase Compound ID | KrCWxcojG1W |
|---|---|
| InChI | InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3/t27-,28-,35+,36+,39-,40-,41-,42-/m0/s1 |
| InChIKey | YHBNZAXDVRIVFN-AGEOKJENSA-N |
| Mol Weight | 654.9 g/mol |
| Molecular Formula | C42H54O6 |
| Exact Mass | 654.392039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GJDcgOsC3GZ |
|---|---|
| Name | Dipuupehetriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H54O6 |
| InChI | InChI=1S/C42H54O6/c1-37(2)13-9-15-39(5)27(37)11-17-41(7)29(39)19-22-25(47-41)21-24(44)34-30(22)32-31-26(20-23(43)33(32)45)48-42(8)18-12-28-38(3,4)14-10-16-40(28,6)36(42)35(31)46-34/h19-21,27-28,35-36,43-45H,9-18H2,1-8H3/t27-,28-,35+,36+,39-,40-,41-,42-/m0/s1 |
| InChIKey | YHBNZAXDVRIVFN-AGEOKJENSA-N |
| Molecular Weight | 654.888 g/mol |
| SMILES | Oc1cc2O[C@]3(CC[C@@]4([C@@]([C@]3([C@]3(c2c(-c2c(c(cc5O[C@]6(CC[C@@]7([C@@](C6=Cc25)(CCCC7(C)C)C)[H])C)O)O3)c1O)[H])[H])(CCCC4(C)C)C)[H])C |
| SPLASH | splash10-0006-1000009000-bbee8d32a0cbca66f85e |
| Source of Spectrum | J-58-6567-8 |
| Synonyms | (2aS,6aS,6bS,6cS,10aS,12aS,16aS,21aS)-3,3,6a,10a,13,13,16a,21a-octamethyl-1,2,2a,3,4,5,6,6a,6b,6c,10a,11,12,12a,13,14,15,16,16a,21a-icosahydrobenzo[a]benzo[5',6']chromeno[3',2':5,6]chromeno[4,3,2-kl]xanthene-8,18,19-triol |
| Wiley ID | 1413321 |