| SpectraBase Spectrum ID |
B28OxnczNy4 |
| Name |
(3S)-4-((6S,10S,11R,11aS,E)-9-ethylidene-11-(hydroxymethyl)-2-methoxy-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-1-yl)-3-((6S,8R,9R,10S)-9-(hydroxymethyl)-5,12-dimethyl-6,7,8,9,10,11-hexahydro-5H-6,10-epiminocycloocta[b]indol-8-yl)butan-2-one |
| Alternate Name(s) |
Perhentisine B |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H50N4O4 |
| InChI |
InChI=1S/C41H50N4O4/c1-6-22-18-45-35-17-29-39-28(38(49-5)12-11-32(39)42-40(29)36(45)14-25(22)30(35)19-46)13-24(21(2)48)26-15-37-41-27(16-34(43(37)3)31(26)20-47)23-9-7-8-10-33(23)44(41)4/h6-12,24-26,30-31,34-37,42,46-47H,13-20H2,1-5H3/b22-6-/t24-,25+,26+,30-,31-,34+,35+,36+,37+/m1/s1 |
| InChIKey |
SNBAPKABLFRZOR-WBOODDDRSA-N |
| Molecular Weight |
662.875 g/mol |
| SMILES |
OC[C@]1([C@]2(N3[C@](c4c(c5c(ccc(c5C[C@@]([C@@]5(C[C@@]6(N([C@]([C@@]5(CO)[H])(Cc5c7ccccc7[n](c65)C)[H])C)[H])[H])(C(C)=O)[H])OC)[nH]4)C2)(C[C@]1(\C(C3)=C/C)[H])[H])[H])[H] |
| SPLASH |
splash10-0005-5903105000-f5a1b3282507d299f013 |
| Source of Spectrum |
Shin-Jowl Tan, et al. Phytochemistry, V.85, 2013, P.194-202 |
| Wiley ID |
1817230 |
![(3S)-4-((6S,10S,11R,11aS,E)-9-ethylidene-11-(hydroxymethyl)-2-methoxy-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-1-yl)-3-((6S,8R,9R,10S)-9-(hydroxymethyl)-5,12-dimethyl-6,7,8,9,10,11-hexahydro-5H-6,10-epiminocycloocta[b]indol-8-yl)butan-2-one](/api/spectrum/B28OxnczNy4/structure.png?h=300&w=458 "(3S)-4-((6S,10S,11R,11aS,E)-9-ethylidene-11-(hydroxymethyl)-2-methoxy-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-1-yl)-3-((6S,8R,9R,10S)-9-(hydroxymethyl)-5,12-dimethyl-6,7,8,9,10,11-hexahydro-5H-6,10-epiminocycloocta[b]indol-8-yl)butan-2-one")
