![1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv.](/api/spectrum/AVV3Bod8HGE/structure.png?h=300&w=458 "1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv.")
| SpectraBase Compound ID | AgKIv8H04KD |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-18(2)19-9-12-23-28(19,6)15-16-29(7)20-10-11-22-26(3,4)24(31)13-14-27(22,5)21(20)17-25(32)30(23,29)8/h17-20,22-25,31-32H,9-16H2,1-8H3/t19-,20?,22?,23?,24-,25+,27+,28-,29-,30-/m0/s1 |
| InChIKey | ZWTQSIHLEYRYLZ-ITLPVKHQSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AVV3Bod8HGE |
|---|---|
| Name | 1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv. |
| CAS Registry Number | 127776-77-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-18(2)19-9-12-23-28(19,6)15-16-29(7)20-10-11-22-26(3,4)24(31)13-14-27(22,5)21(20)17-25(32)30(23,29)8/h17-20,22-25,31-32H,9-16H2,1-8H3/t19-,20?,22?,23?,24-,25+,27+,28-,29-,30-/m0/s1 |
| InChIKey | ZWTQSIHLEYRYLZ-ITLPVKHQSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@@]1(C(C2[C@@](C=3C([C@@]4(CC[C@@]5(C([C@]4([C@@](C3)(O)[H])C)CC[C@]5(C(C)C)[H])C)C)CC2)(CC1)C)(C)C)[H] |
| SPLASH | splash10-0006-9550400000-63d6e8241fcc32899e8a |
| Source of Spectrum | B-43-627-0 |
| Synonyms | D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,12-diol, (3.beta.,12.beta.)- (3S,3aS,5aS,9S,11aS,13R,13aR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-9,13-diol FERN-9(11)-ENE-3.beta.,12.beta.-DIOL Triterpene E |
| Wiley ID | 1385624 |