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15.beta.-Angeloyl-3.alpha.-acetoxy-kaur-16-ene
SpectraBase Compound ID 1OBvEMlgp62
InChI InChI=1S/C27H40O4/c1-8-16(2)24(29)31-23-17(3)19-9-10-21-26(7)13-12-22(30-18(4)28)25(5,6)20(26)11-14-27(21,23)15-19/h8,19-23H,3,9-15H2,1-2,4-7H3/b16-8+/t19-,20?,21?,22-,23-,26-,27-/m1/s1
InChIKey PRJUXXJEZBCPFG-AOHSWLSHSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL87EIWl1Vh
Name 15.beta.-Angeloyl-3.alpha.-acetoxy-kaur-16-ene
Alternate Name(s) (3alpha,8alpha,10alpha,13alpha,15beta)-3-(acetyloxy)kaur-16-en-15-yl (2E)-2-methyl-2-butenoate 15.alpha.-Angeloyl-3.beta.-acetoxy-kaur-16-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-8-16(2)24(29)31-23-17(3)19-9-10-21-26(7)13-12-22(30-18(4)28)25(5,6)20(26)11-14-27(21,23)15-19/h8,19-23H,3,9-15H2,1-2,4-7H3/b16-8+/t19-,20?,21?,22-,23-,26-,27-/m1/s1
InChIKey PRJUXXJEZBCPFG-AOHSWLSHSA-N
Molecular Weight 428.613 g/mol
SMILES [C@]123[C@@](C(=C)[C@@](C3)(CCC2[C@@]2(CC[C@](C(C2CC1)(C)C)(OC(=O)C)[H])C)[H])(OC(\C(=C\C)C)=O)[H]
SPLASH splash10-001l-9010000000-38f951a513d72aa64848
Source of Spectrum X2-49-262-2
Wiley ID 1601838