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7.alpha.-angeloyloxy- or methylacryloyloxy- or senecioyloxy-1-oxo- or senecioyloxy-9.beta.-angeloyloxy- or methacryloyloxy- .alpha.-longipinene
SpectraBase Compound ID 3lGPY7ROWkj
InChI InChI=1S/C25H34O5/c1-9-13(3)22(27)29-17-12-18(30-23(28)14(4)10-2)25(8)19-15(5)11-16(26)20(25)21(19)24(17,6)7/h9-11,17-21H,12H2,1-8H3/b13-9+,14-10+/t17?,18?,19-,20+,21-,25+/m0/s1
InChIKey GXMVUJPIUWLNDG-WGCKICQUSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B33ShqRgPCK
Name 7.alpha.-angeloyloxy- or methylacryloyloxy- or senecioyloxy-1-oxo- or senecioyloxy-9.beta.-angeloyloxy- or methacryloyloxy- .alpha.-longipinene
CAS Registry Number 65556-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-9-13(3)22(27)29-17-12-18(30-23(28)14(4)10-2)25(8)19-15(5)11-16(26)20(25)21(19)24(17,6)7/h9-11,17-21H,12H2,1-8H3/b13-9+,14-10+/t17?,18?,19-,20+,21-,25+/m0/s1
InChIKey GXMVUJPIUWLNDG-WGCKICQUSA-N
Molecular Weight 414.542 g/mol
SMILES [C@@]12([C@]3(C(C)=CC([C@@]2([C@]3(C(C)(C)C(CC1OC(\C(=C\C)C)=O)OC(\C(=C\C)C)=O)[H])[H])=O)[H])C
SPLASH splash10-00lr-9010000000-ec30a6b49caf7f4953e4
Source of Spectrum K-110-3580-0
Synonyms 2,6,6,9-tetramethyl-5-{[(2E)-2-methyl-2-butenoyl]oxy}-11-oxotricyclo[5.4.0.0(2,8)]undec-9-en-3-yl (2E)-2-methyl-2-butenoate
Wiley ID 1375537