SpectraBase Compound ID | Cf5ZMWpYVUO |
---|---|
InChI | InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h15,23-30,32-35,37H,9-14,16-22H2,1-8H3/t24-,25+,26?,27?,28?,29+,30-,32?,33?,34?,35-,37-,38+,39-/m1/s1 |
InChIKey | HQVBFDJIAFDECK-JLIJCMMBSA-N |
Mol Weight | 580.9 g/mol |
Molecular Formula | C39H64O3 |
Exact Mass | 580.485546 g/mol |
SpectraBase Spectrum ID | 8fef9cuPPgf |
---|---|
Name | 3'.beta.-[5.alpha.-Sigmast-7-ene-3.beta.-oxy]-dihydronepetalactone |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C39H64O3 |
InChI | InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h15,23-30,32-35,37H,9-14,16-22H2,1-8H3/t24-,25+,26?,27?,28?,29+,30-,32?,33?,34?,35-,37-,38+,39-/m1/s1 |
InChIKey | HQVBFDJIAFDECK-JLIJCMMBSA-N |
Molecular Weight | 580.938 g/mol |
SMILES | C=12C3[C@](C([C@@](CCC(C(C)C)CC)(C)[H])CC3)(C)CCC2[C@]2(CC[C@](O[C@@]3(OC(=O)[C@]4([C@@](C3C)(CC[C@@]4(C)[H])[H])[H])[H])(CC2CC1)[H])C |
SPLASH | splash10-000t-5639000000-1218aa42c32bc9e216a4 |
Source of Spectrum | G4-63-890-2 |
Wiley ID | 1608494 |