| SpectraBase Spectrum ID |
5balPqQ7GX |
| Name |
1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv. |
| CAS Registry Number |
127776-78-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H52O3 |
| InChI |
InChI=1S/C32H52O3/c1-19(2)23-18-24(34)27-30(23,7)16-17-31(8)22-10-11-25-28(4,5)26(35-20(3)33)13-14-29(25,6)21(22)12-15-32(27,31)9/h12,19,22-27,34H,10-11,13-18H2,1-9H3/t22?,23-,24+,25?,26+,27?,29+,30-,31-,32+/m1/s1 |
| InChIKey |
ZFDHHJKYPBEVIK-VPJSOETKSA-N |
| Molecular Weight |
484.765 g/mol |
| SMILES |
O[C@@]1(C2[C@@]([C@@](C(C)C)(C1)[H])(CC[C@]1([C@]2(CC=C2[C@]3(C(C(C)(C)[C@](CC3)(OC(=O)C)[H])CCC12)C)C)C)C)[H] |
| SPLASH |
splash10-052f-5011900000-1a6498bb1dc8c6dac725 |
| Source of Spectrum |
B-43-626-2 |
| Synonyms |
D:C-Friedo-B':A'-neogammacer-9(11)-ene-3,19-diol, 3-acetate, (3.beta.,19.beta.)-
(1S,3R,3aR,5aR,9S,11aR,13aS)-1-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-19.beta.-ol
Triterpene C |
| Wiley ID |
1396184 |
![1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv.](/api/spectrum/5balPqQ7GX/structure.png?h=300&w=458 "1H-Cyclopenta[a]chrysene, D:C-friedo-B':A'-neogammacer-9(11)-ene-3,19-diol deriv.")
