| SpectraBase Spectrum ID |
5R7bTIsdp5h |
| Name |
(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(E)-5-methyl-1-methylene-hept-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.406901674 u |
| Formula |
C31H52 |
| GC Column |
ZB-5 ms (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C31H52/c1-9-22(2)12-10-13-23(3)24-16-20-30(7)25(24)14-15-27-29(6)19-11-18-28(4,5)26(29)17-21-31(27,30)8/h12,24-27H,3,9-11,13-21H2,1-2,4-8H3/b22-12+/t24-,25+,26-,27+,29-,30+,31+/m0/s1 |
| InChIKey |
XVKMRYNWJZYRRR-WJCFXKCZSA-N |
| Instrument Name |
JEOL SX 100 or JEOL JMS-Q1000 GC K9 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801668 |
| Molecular Weight |
424.757 g/mol |
| Optical Rotation |
[a]D25 = +55.5 (c = 0.016, CHCl3) |
| Quality |
899 |
| Reported Formula |
C31H52 |
| SMILES |
C1C[C@]2([C@](C(C1)(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(C(=C)CC\C=C\(CC)C)[H])C)[H])[H])C)[H])C |
| SPLASH |
splash10-05mo-6910000000-21a94b87f8804b0d04b3 |
| Source of Spectrum |
QE-24-SM12-30 (DOI: 10.1002/chem.201801668) |
| Wiley ID |
1901634 |
![(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(E)-5-methyl-1-methylene-hept-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/5R7bTIsdp5h/structure.png?h=300&w=458 "(5S,8R,9R,10S,13R,14R,17R)-4,4,8,10,14-pentamethyl-17-[(E)-5-methyl-1-methylene-hept-4-enyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene")
