| SpectraBase Spectrum ID |
CON2DVSoS8z |
| Name |
(1S,4aS,4bS,7R,9S,10aS)-methyl 7-ethyl-9-((1R,4aR,4bR,7S,9R,10aR)-7-ethyl-1-(methoxycarbonyl)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-yloxy)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H66O5 |
| InChI |
InChI=1S/C42H66O5/c1-11-37(3)21-15-29-27(25-37)31(23-33-39(29,5)17-13-19-41(33,7)35(43)45-9)47-32-24-34-40(6,18-14-20-42(34,8)36(44)46-10)30-16-22-38(4,12-2)26-28(30)32/h25-26,29-34H,11-24H2,1-10H3/t29-,30+,31+,32-,33+,34-,37-,38+,39+,40-,41+,42- |
| InChIKey |
OOKQOEOVHPTCCP-VUKRODFQSA-N |
| Literature Reference DOI |
10.1002/open.201500187 |
| Molecular Weight |
650.985 g/mol |
| SMILES |
[C@@]1([C@]2([C@@]([C@]3(CC[C@@](C=C3[C@@](C2)(O[C@]2(C[C@]3([C@]([C@]4(C2=C[C@](CC4)(C)CC)[H])(CCC[C@@]3(C(=O)OC)C)C)[H])[H])[H])(CC)C)[H])(CCC1)C)[H])(C)C(=O)OC |
| SPLASH |
splash10-067i-2698000000-dcc2c492c930da3f6290 |
| Source of Spectrum |
CHO-5-65/SM13-39 |
| Synonyms |
Methyl (1S,4aS,4bS,7R,9S,10aS)-7-ethyl-9-(((1R,4aR,4bR,7S,9R,10aR)-7-ethyl-1-(methoxycarbonyl)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-yl)oxy)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate |
| Wiley ID |
1808479 |
