| SpectraBase Spectrum ID |
3OrscsT0qMl |
| Name |
Tulearin C |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H52O5 |
| InChI |
InChI=1S/C30H52O5/c1-6-7-8-9-11-14-22(2)19-26-20-23(3)15-12-10-13-16-27(31)28(32)18-17-24(4)21-29(33)25(5)30(34)35-26/h10-12,14,19,23-29,31-33H,6-9,13,15-18,20-21H2,1-5H3/b12-10+,14-11+,22-19+/t23-,24+,25-,26-,27+,28+,29-/m1/s1 |
| InChIKey |
VXDINLPYCDGQAD-YPLUWHBUSA-N |
| Literature Reference DOI |
10.1002/anie.201106117 |
| Molecular Weight |
492.741 g/mol |
| SMILES |
O[C@@]1([C@](CC\C=C\C[C@](C[C@](OC([C@@]([C@@](C[C@](CC1)(C)[H])(O)[H])(C)[H])=O)(\C=C\(\C=C\CCCCC)C)[H])(C)[H])(O)[H])[H] |
| SPLASH |
splash10-0006-9600100000-ed489111be4137917c7b |
| Source of Spectrum |
ACI-50-SMS18-4 |
| Synonyms |
(3R,4R,6S,9S,10S,16R,18S,E)-4,9,10-trihydroxy-3,6,16-trimethyl-18-((1E,3E)-2-methylnona-1,3-dien-1-yl)oxacyclooctadec-13-en-2-one |
| Wiley ID |
1780161 |
