| SpectraBase Spectrum ID |
KF3ADd5bdiu |
| Name |
Popolohuanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H57NO3 |
| InChI |
InChI=1S/C42H57NO3/c1-26-11-9-13-36-39(26,5)19-17-28(3)41(36,7)24-30-21-32(15-16-35(30)45)43-34-23-33(44)22-31(38(34)46)25-42(8)29(4)18-20-40(6)27(2)12-10-14-37(40)42/h11-12,15-16,21-23,28-29,36-37,43,45H,9-10,13-14,17-20,24-25H2,1-8H3/t28-,29-,36-,37+,39-,40+,41+,42+/m1/s1 |
| InChIKey |
ROZMQHNIWNVATE-JEXBZRRKSA-N |
| Molecular Weight |
623.922 g/mol |
| SMILES |
N(C=1C(C(C[C@@]2([C@@]3([C@@](C(C)=CCC3)(C)CC[C@]2(C)[H])[H])C)=CC(C1)=O)=O)c1ccc(c(c1)C[C@@]1([C@]2([C@](C(C)=CCC2)(C)CC[C@]1(C)[H])[H])C)O |
| SPLASH |
splash10-0002-9510000000-827d897aebcd764bb268 |
| Source of Spectrum |
J-57-6607-8 |
| Synonyms |
2-{[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-6-(3-{[(1S,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}-4-hydroxyanilino)benzo-1,4-quinone |
| Wiley ID |
1411732 |
