| SpectraBase Spectrum ID |
LoWFDXSVTYL |
| Name |
3-beta-Hydroxyurs-11-en-13-beta(28)-olide |
| Alternate Name(s) |
(3S,4aR,6aR,6bS,11R,12S,12aR,14aR,14bS)-3-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,14a,14b-hexadecahydro-1H,9H-12b,8a-(epoxymethano)picen-16-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H46O3 |
| InChI |
InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1 |
| InChIKey |
UVBLDLGZDSGCSN-RUOWOPRNSA-N |
| Literature Reference DOI |
10.1002/pca.859 |
| Molecular Weight |
454.695 g/mol |
| SMILES |
O[C@@]1(C(C)(C)[C@@]2(CC[C@@]3(C)[C@]4(C)CC[C@]56CC[C@@](C)([C@](C)([C@@]6([H])[C@]4(C=C[C@@]3([C@]2(CC1)C)[H])OC5=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0ik9-2420900000-e4d2f19a3fbe089e1326 |
| Source of Spectrum |
PA-16-368-5 |
| Wiley ID |
1789495 |
