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(2R)-8,13-epoxy-2,2-(8',13'-epoxy-2'b-methoxy-3'-oxolabdane-1'a,2'a-diyldioxy)-1a-hydroxylabdan-3-one
SpectraBase Compound ID KkLhHOdIJJU
InChI InChI=1S/C41H66O8/c1-14-34(7)20-16-26-36(9,47-34)22-18-24-32(3,4)28(42)40(30(44)38(24,26)11)46-31-39(12)25(33(5,6)29(43)41(31,45-13)49-40)19-23-37(10)27(39)17-21-35(8,15-2)48-37/h24-27,30-31,44H,14-23H2,1-13H3/t24?,25?,26?,27?,30-,31-,34?,35?,36?,37?,38?,39?,40?,41+/m1/s1
InChIKey COQUDVPJOZZBJJ-SRUMPUTJSA-N
Mol Weight 687.0 g/mol
Molecular Formula C41H66O8
Exact Mass 686.475769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yKvaDKca7T
Name (2R)-8,13-epoxy-2,2-(8',13'-epoxy-2'b-methoxy-3'-oxolabdane-1'a,2'a-diyldioxy)-1a-hydroxylabdan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H66O8
InChI InChI=1S/C41H66O8/c1-14-34(7)20-16-26-36(9,47-34)22-18-24-32(3,4)28(42)40(30(44)38(24,26)11)46-31-39(12)25(33(5,6)29(43)41(31,45-13)49-40)19-23-37(10)27(39)17-21-35(8,15-2)48-37/h24-27,30-31,44H,14-23H2,1-13H3/t24?,25?,26?,27?,30-,31-,34?,35?,36?,37?,38?,39?,40?,41+/m1/s1
InChIKey COQUDVPJOZZBJJ-SRUMPUTJSA-N
Molecular Weight 686.971 g/mol
SMILES O[C@@]1(C2(C3C(OC(CC3)(CC)C)(C)CCC2C(C(C11O[C@]2(C(C(C)(C)C3C([C@]2(O1)[H])(C1C(OC(CC1)(CC)C)(CC3)C)C)=O)OC)=O)(C)C)C)[H]
SPLASH splash10-000i-0000009000-898086c0062eefc10f48
Source of Spectrum B-46-1125-0
Synonyms (3'R,13R,17R)-5,12'-diethyl-3'-hydroxy-13-methoxy-1,2',5,6',6',7,10',11,11,12'-decamethyl-6,11',14,16-tetraoxaspiro[tetracyclo[8.7.0.0(2,7).0(13,17)]heptadecane-15,4'-tricyclo[8.4.0.0(2,7)]tetradecane]-5',12-dione
Wiley ID 1414557