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HOPAN
SpectraBase Compound ID 1ilb7rpjob8
InChI InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey ZRLNBWWGLOPJIC-PYQRSULMSA-N
Mol Weight 412.7 g/mol
Molecular Formula C30H52
Exact Mass 412.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c68CaZ9oi7
Name Hopane
CAS Registry Number 471-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52
InChI InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey ZRLNBWWGLOPJIC-PYQRSULMSA-N
Molecular Weight 412.746 g/mol
SMILES [C@@]12([C@](C(CCC2)(C)C)(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC[C@@]2([C@@]1(CC[C@@]2(C(C)C)[H])C)[H])C)[H])[H])C)[H])C
SPLASH splash10-0006-0901100000-0883af2538940357dc10
Source of Spectrum E1-40-1684-1
Synonyms (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene A'-neogammacerane
Wiley ID 1519450