| SpectraBase Compound ID | CrV6Kl0SR7z |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-25(2)13-12-23(32)30(8)21(25)11-16-29(7)24(30)20(31)17-22-27(5)14-9-18(26(3,4)33)19(27)10-15-28(22,29)6/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | WTIUITBIDPOHKN-RUKKCGOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KsRhP5VxcXD |
|---|---|
| Name | (3S,3aS,5aR,5bR,7aS,11S,11aS,11bS,12R,13aR,13bS)-3-(1-hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-11,12-diol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-25(2)13-12-23(32)30(8)21(25)11-16-29(7)24(30)20(31)17-22-27(5)14-9-18(26(3,4)33)19(27)10-15-28(22,29)6/h18-24,31-33H,9-17H2,1-8H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| InChIKey | WTIUITBIDPOHKN-RUKKCGOYSA-N |
| Molecular Weight | 460.743 g/mol |
| SMILES | OC([C@]1(CC[C@@]2([C@@]3([C@]([C@@]4(CC[C@]5(C(CC[C@@]([C@@]5([C@]4([C@@](C3)(O)[H])[H])C)(O)[H])(C)C)[H])C)(CC[C@@]12[H])C)[H])C)[H])(C)C |
| SPLASH | splash10-0a4r-0800900000-6781931ac5a174cd51da |
| Source of Spectrum | E1-38-2132-14 |
| Synonyms | (3S,3aS,5aR,5bR,7aS,11S,11aS,11bS,12R,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-11,12-diol (3S,3aS,5aR,5bR,7aS,11S,11aS,11bS,12R,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(2-oxidanylpropan-2-yl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-11,12-diol |
| Wiley ID | 1518434 |