| SpectraBase Spectrum ID |
6Hd0uG83PwK |
| Name |
(3'S,5'R)-Kryptocapsin-acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O3 |
| InChI |
InChI=1S/C42H58O3/c1-31(19-14-21-33(3)24-26-38-35(5)23-16-28-40(38,7)8)17-12-13-18-32(2)20-15-22-34(4)25-27-39(44)42(11)30-37(45-36(6)43)29-41(42,9)10/h12-15,17-22,24-27,37H,16,23,28-30H2,1-11H3/b13-12+,19-14+,20-15+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t37-,42-/m0/s1 |
| InChIKey |
NZRSUYTXDOMVKN-CADFEXEGSA-N |
| Literature Reference DOI |
10.1002/hlca.19830660706 |
| Molecular Weight |
610.923 g/mol |
| SMILES |
C1C(C(=C(CC1)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(C)\C=C\C(=O)[C@@]1(C[C@](CC1(C)C)(OC(C)=O)[H])C)C)C)C)(C)C |
| SPLASH |
splash10-0a4i-8900010000-db38fe400b4da3cf696a |
| Source of Spectrum |
H-66-1956-3a |
| Synonyms |
3'-acetyl Kryptocapsin
(1S,4R)-3,3,4-trimethyl-4-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohex-1-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl)cyclopentyl acetate |
| Wiley ID |
1797625 |
