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Hispidol B triacetate
SpectraBase Compound ID LgYZGaijy5G
InChI InChI=1S/C36H58O7/c1-21(20-28(41-22(2)37)31(33(7,8)40)43-24(4)39)25-14-18-36(11)27-12-13-29-32(5,6)30(42-23(3)38)16-17-34(29,9)26(27)15-19-35(25,36)10/h12,21,25-26,28-31,40H,13-20H2,1-11H3
InChIKey AFIGZDUTZKBXPB-UHFFFAOYSA-N
Mol Weight 602.9 g/mol
Molecular Formula C36H58O7
Exact Mass 602.418254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wPsNnd3Q5n
Name Hispidol B triacetate
Alternate Name(s) 23,24-bis(acetyloxy)-25-hydroxylanost-7-en-3-yl acetate
CAS Registry Number 78739-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H58O7
InChI InChI=1S/C36H58O7/c1-21(20-28(41-22(2)37)31(33(7,8)40)43-24(4)39)25-14-18-36(11)27-12-13-29-32(5,6)30(42-23(3)38)16-17-34(29,9)26(27)15-19-35(25,36)10/h12,21,25-26,28-31,40H,13-20H2,1-11H3
InChIKey AFIGZDUTZKBXPB-UHFFFAOYSA-N
Molecular Weight 602.853 g/mol
SMILES OC(C(C(CC(C1C2(C(C=3C(C4(CCC(C(C4CC3)(C)C)OC(=O)C)C)CC2)(CC1)C)C)C)OC(=O)C)OC(=O)C)(C)C
SPLASH splash10-0690-0005390000-5205d09bbbac63104997
Source of Spectrum J-46-4088-0
Wiley ID 1410338