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(1S,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1S,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
SpectraBase Compound ID LofNLgQlCHI
InChI InChI=1S/C30H50O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31-32H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22+,23+,27+,28-,29-,30+/m1/s1
InChIKey WBFQJRAHTVDUSX-AUWMGWOZSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKa1Ab7iW69
Name (1S,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31-32H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22+,23+,27+,28-,29-,30+/m1/s1
InChIKey WBFQJRAHTVDUSX-AUWMGWOZSA-N
Molecular Weight 474.726 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@]([C@]4([C@@]([C@]5([C@@](C(CC[C@@]5(CC4)C(=O)O)(C)C)(O)[H])[H])(CC3)[H])C)(CC[C@]2(C1(C)C)[H])C)[H])C)[H]
SPLASH splash10-0a4r-0550900000-f3246816122079bbb4e6
Source of Spectrum G4-61-458-1
Synonyms (1S,4aR,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-1,10-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
Wiley ID 1607223