| SpectraBase Spectrum ID |
AOVVWBgnAEB |
| Name |
A'-Neogammacerane-6,20,22-triol, 20-acetate, (6.alpha.,20.alpha.)- |
| Alternate Name(s) |
(2S,7S)-7-hydroxy-3-(1-hydroxy-1-methylethyl)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-2-yl acetate
1H-cyclopenta[a]chrysene, a'-neogammacerane-6,20,22-triol deriv.
20.alpha.-acetoxyhopane-6.alpha.,22-diol |
| CAS Registry Number |
81757-64-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-19(33)36-22-18-30(7)20(25(22)28(4,5)35)13-16-31(8)24(30)12-11-23-29(6)15-10-14-27(2,3)26(29)21(34)17-32(23,31)9/h20-26,34-35H,10-18H2,1-9H3/t20?,21-,22-,23?,24?,25?,26?,29?,30?,31?,32?/m0/s1 |
| InChIKey |
YMCJSRMATJHYQF-FJHYHBPTSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
OC(C1[C@](CC2(C3C(C4(C[C@@](C5C(C4CC3)(CCCC5(C)C)C)(O)[H])C)(CCC12)C)C)(OC(=O)C)[H])(C)C |
| SPLASH |
splash10-052s-0921200000-310bbe580f3ec1264aac |
| Source of Spectrum |
B-35-644-2 |
| Wiley ID |
1399323 |
