| SpectraBase Spectrum ID |
KXEu1h5WLXV |
| Name |
1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv. |
| CAS Registry Number |
127747-63-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H52O3 |
| InChI |
InChI=1S/C32H52O3/c1-19(2)21-10-13-25-30(21,7)16-17-31(8)22-11-12-24-28(4,5)27(35-20(3)33)14-15-29(24,6)23(22)18-26(34)32(25,31)9/h18-19,21-22,24-27,34H,10-17H2,1-9H3/t21-,22?,24?,25?,26-,27+,29+,30-,31-,32-/m1/s1 |
| InChIKey |
XHWCHSZUJCEINM-HLKYNFKWSA-N |
| Molecular Weight |
484.765 g/mol |
| SMILES |
O[C@]1([C@]2(C3[C@]([C@@](C(C)C)(CC3)[H])(C)CC[C@@]2(C2C([C@]3(C(C(C)(C)[C@](CC3)(OC(=O)C)[H])CC2)C)=C1)C)C)[H] |
| SPLASH |
splash10-007x-6460900000-365200d34eae7571cf0b |
| Source of Spectrum |
B-43-626-2 |
| Synonyms |
D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,12-diol, 3-acetate, (3.beta.,12.beta.)-
(3R,3aR,5aR,9S,11aR,13R,13aS)-13-hydroxy-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]chrysen-9-yl acetate
3.beta.-acetoxyfern-9(11)-en-12.beta.-ol
Triterpene B |
| Wiley ID |
1396183 |
![1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv.](/api/spectrum/KXEu1h5WLXV/structure.png?h=300&w=458 "1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,12-diol deriv.")
