| SpectraBase Spectrum ID |
IdL4gEfZpfN |
| Name |
13H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-en-12-one deriv. |
| Alternate Name(s) |
D:C-Friedo-B':A'-neogammacer-9(11)-en-12-one, 3-hydroxy-, (3.beta.)-
(3S,3aS,5aS,9S,11aS,13aR)-9-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13a,13b-octadecahydro-13H-cyclopenta[a]chrysen-13-one
3.beta.-hydroxyfern-9(11)-en-12-one
Triterpene D |
| CAS Registry Number |
127776-76-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O2 |
| InChI |
InChI=1S/C30H48O2/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/h17-20,22-24,31H,9-16H2,1-8H3/t19-,20?,22?,23?,24-,27+,28-,29-,30-/m0/s1 |
| InChIKey |
JTWWGTAUNWXXCI-CQGPHHEOSA-N |
| Molecular Weight |
440.712 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C=3C([C@@]4(CC[C@@]5(C([C@]4(C(C3)=O)C)CC[C@]5(C(C)C)[H])C)C)CCC2C1(C)C)C)[H] |
| SPLASH |
splash10-0573-0423900000-cdfbaa7b7ae0111edc4b |
| Source of Spectrum |
B-43-627-2 |
| Wiley ID |
1384931 |
![13H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-en-12-one deriv.](/api/spectrum/IdL4gEfZpfN/structure.png?h=300&w=458 "13H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-en-12-one deriv.")
