| SpectraBase Spectrum ID |
DG8VFlNN3a7 |
| Name |
1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv. |
| CAS Registry Number |
62687-64-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H68O14 |
| InChI |
InChI=1S/C46H68O14/c1-24(2)14-13-15-25(3)31-18-20-44(10)32-16-17-35-45(11,33(32)19-21-43(31,44)9)36(55-27(5)48)22-37(46(35,12)42(52)53)60-41-40(58-30(8)51)39(57-29(7)50)38(56-28(6)49)34(59-41)23-54-26(4)47/h14,16-17,25,31-41H,13,15,18-23H2,1-12H3,(H,52,53)/t25?,31-,32?,33+,34?,35?,36+,37+,38?,39?,40?,41?,43-,44-,45-,46+/m1/s1 |
| InChIKey |
AYTVKSZMMYDOOS-FGGYOZJMSA-N |
| Molecular Weight |
845.036 g/mol |
| SMILES |
OC([C@]1(C2[C@]([C@]3(CC[C@]4([C@@](C3C=C2)(CC[C@@]4(C(CCC=C(C)C)C)[H])C)C)[H])(C)[C@](C[C@@]1(OC1C(C(OC(=O)C)C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)[H])(OC(=O)C)[H])C)=O |
| SPLASH |
splash10-014l-8925200000-588e7f5b903e7abb4ea3 |
| Source of Spectrum |
KC-1985-1714-2 |
| Synonyms |
9,19-Cyclolanost-24-en-28-oic acid, 1-(acetyloxy)-3-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, (1.alpha.,3.beta.,4.alpha.)-
(1-Acetoxy-4.alpha.-carboxy-4.beta.,14.alpha.-dimethyl-9.beta.,19-cyclo-5.alpha.-cholest-24-en-3.beta.-yl 2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranoside (mollic acid glucoside penta-acetate)
(1S,2R,3S,5S,6S,11R,14R,15R)-3-(acetyloxy)-2,6,11,15-tetramethyl-14-(6-methylhept-5-en-2-yl)-5-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-8-ene-6-carboxylic acid |
| Wiley ID |
1417652 |
![1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv.](/api/spectrum/DG8VFlNN3a7/structure.png?h=300&w=458 "1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv.")
