| SpectraBase Spectrum ID |
I5vc4qExHu9 |
| Name |
1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv. |
| CAS Registry Number |
99646-14-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O4 |
| InChI |
InChI=1S/C30H48O4/c1-18(2)8-7-9-19(3)20-12-13-27(5)21-10-11-22-28(6,25(33)34)23(31)16-24(32)30(22)17-29(21,30)15-14-26(20,27)4/h8,19-24,31-32H,7,9-17H2,1-6H3,(H,33,34)/t19-,20-,21+,22?,23+,24+,26-,27+,28+,29?,30-/m1/s1 |
| InChIKey |
PASCVNXEVINGGG-WVKNDFMWSA-N |
| Molecular Weight |
472.710 g/mol |
| SMILES |
OC([C@]1(C2CC[C@@]3(C4([C@]2([C@](C[C@@]1(O)[H])(O)[H])C4)CC[C@@]1([C@](CC[C@@]31C)([C@@](CCC=C(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-0a4i-0952400000-099ba87de9e6b49ef9fa |
| Source of Spectrum |
KC-1985-1714-3 |
| Synonyms |
9,19-Cyclolanost-24-en-28-oic acid, 1,3-dihydroxy-, (1.alpha.,3.beta.,4.alpha.)-
(+)-Mollic acid
(1R,3aS,3bS,6S,7S,9S,9aS,12aR)-1-[(1R)-1,5-dimethyl-4-hexenyl]-7,9-dihydroxy-3a,6,12a-trimethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthrene-6-carboxylic acid
4.alpha.-carboxy-4.beta.,14.alpha.-dimethyl-9.beta.,19-cyclo-5.alpha.-cholest-24-ene-1.alpha.,3.beta.-diol (mollic acid)
Mollic acid |
| Wiley ID |
1393492 |
![1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv.](/api/spectrum/I5vc4qExHu9/structure.png?h=300&w=458 "1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanost-24-en-28-oic acid deriv.")
