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9,11-Secoergosta-5,24(28)-dien-9-one, 3,11-dihydroxy-, (3.beta.)-
SpectraBase Compound ID 1BURO8J5cN6
InChI InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18,20,22-25,29-30H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24-,25?,27+,28-/m1/s1
InChIKey KYURAZBDCWKPSB-GRIYIYQLSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUoDzpLhmuU
Name 9,11-Secoergosta-5,24(28)-dien-9-one, 3,11-dihydroxy-, (3.beta.)-
Alternate Name(s) (6S,8aS)-6-hydroxy-2-{(2R,3R)-2-(2-hydroxyethyl)-3-[(1R)-4-isopropyl-1-methyl-4-pentenyl]-2-methylcyclopentyl}-8a-methyl-3,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone 3.beta.,11-dihydroxy-24-methylene-9,11-secocholest-5-en-9-one
CAS Registry Number 81419-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18,20,22-25,29-30H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23?,24-,25?,27+,28-/m1/s1
InChIKey KYURAZBDCWKPSB-GRIYIYQLSA-N
Molecular Weight 430.673 g/mol
SMILES OCC[C@]1(C(C2C([C@]3(CC[C@@](CC3=CC2)(O)[H])C)=O)CC[C@@]1([C@@](CCC(=C)C(C)C)(C)[H])[H])C
SPLASH splash10-05fr-9810000000-0109342dffd084b199ea
Source of Spectrum B-35-73-0
Wiley ID 1381764