| SpectraBase Spectrum ID |
L99zgwmD6pE |
| Name |
9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1.alpha.,3.beta.,5Z,7E,22E,24R)- |
| Alternate Name(s) |
(1S,3R,5Z,7E,22E,24R)-24-cyclopropyl-9,10-secochola-5,7,10,22-tetraene-1,3,24-triol
20(R)-[3'(R)-cyclopropyl-3'-hydroxyprop-1'(E)-enyl]-1(S),3(R)-dihydroxy-9,10-secopregna-5(Z),7(E),10(19)triene |
| CAS Registry Number |
112827-99-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O3 |
| InChI |
InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23?,24+,25+,26+,27-/m1/s1 |
| InChIKey |
LWQQLNNNIPYSNX-LHURKNSDSA-N |
| Molecular Weight |
412.614 g/mol |
| SMILES |
O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@@](C(CC2)[C@@](\C=C\[C@@](C2CC2)(O)[H])(C)[H])(CCC1)C)[H])(O)[H])[H] |
| SPLASH |
splash10-001i-0931000000-a2a6e7fac157c1cf0218 |
| Source of Spectrum |
F-43-4618-29 |
| Wiley ID |
1374661 |
