| SpectraBase Spectrum ID |
2lgbUSn4sa |
| Name |
1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv. |
| Alternate Name(s) |
Kaur-16-en-18-oic acid, 13-(acetyloxy)-6,7-dihydroxy-, (4.alpha.,6.beta.,7.beta.)-
(4beta,6alpha,7alpha,13alpha)-13-(acetyloxy)-6,7-dihydroxykaur-16-en-18-oic acid
ent-13-acetoxy-6.alpha.,7.alpha.-dihydroxykaur-16-en-19-oic acid |
| CAS Registry Number |
59102-28-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O6 |
| InChI |
InChI=1S/C22H32O6/c1-12-10-21-11-22(12,28-13(2)23)9-6-14(21)19(3)7-5-8-20(4,18(26)27)16(19)15(24)17(21)25/h14-17,24-25H,1,5-11H2,2-4H3,(H,26,27)/t14-,15-,16-,17-,19-,20-,21-,22+/m1/s1 |
| InChIKey |
ZQHDTFNARRKDOJ-ZNWBGPSQSA-N |
| Molecular Weight |
392.492 g/mol |
| SMILES |
O[C@]1([C@@]23[C@@]([C@]4(CCC[C@]([C@@]4([C@]1(O)[H])[H])(C(=O)O)C)C)(CC[C@@](C2)(OC(=O)C)C(C3)=C)[H])[H] |
| SPLASH |
splash10-0a4u-6968000000-6e218eb675725f12bf91 |
| Source of Spectrum |
KC-1976-176-0 |
| Wiley ID |
1365839 |
