| SpectraBase Spectrum ID |
877VCTDU9lZ |
| Name |
9,10-Secocholesta-5,7,10(19)-trien-3-ol, dimethyl phosphate, (3.beta.,5Z,7E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
492.336847052 u |
| Formula |
C29H49O4P |
| InChI |
InChI=1S/C29H49O4P/c1-21(2)10-8-11-23(4)27-17-18-28-24(12-9-19-29(27,28)5)14-15-25-20-26(16-13-22(25)3)33-34(30,31-6)32-7/h14-15,21,23,26-28H,3,8-13,16-20H2,1-2,4-7H3/b24-14+,25-15-/t23-,26-,27-,28+,29-/m1/s1 |
| InChIKey |
ZHWVIRSQTBMUBQ-RKNCGIDSSA-N |
| Molecular Weight |
492.681 g/mol |
| SMILES |
[C@]12([C@](\C(=C\C=C/3C(CC[C@@](OP(=O)(OC)OC)(C3)[H])=C)CCC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
