| SpectraBase Spectrum ID |
Kh4KBSMqLE9 |
| Name |
(3.beta.,5.alpha.,6.alpha.,7.alpha.,22E)-Ergosta-8(14),22-diene-3,5,6,7-tetrol |
| CAS Registry Number |
71097-12-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-20,22,24-25,29-32H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1 |
| InChIKey |
WHUHGDKCTXRPAK-SDNRFBISSA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
O[C@@]1([C@@]([C@]2(C[C@](CC[C@@]2([C@]2(CC[C@]3(C(=C12)CC[C@@]3([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C)[H])C)(O)[H])O)(O)[H])[H] |
| SPLASH |
splash10-000i-0090300000-fde72c48df1c65502ec9 |
| Source of Spectrum |
J-44-3660-0 |
| Synonyms |
(3beta,5alpha,6alpha,7alpha,22E)-ergosta-8(14),22-diene-3,5,6,7-tetrol |
| Wiley ID |
1386779 |
