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A(1)-Norlup-20(29)-en-28-oic acid, 2-carboxy-3-hydroxy-, (2.alpha.,3.beta.)-
SpectraBase Compound ID 61Xgcysi9ZX
InChI InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)
InChIKey WLCHQSHZHFLMJH-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUDt8PhQEiB
Name A(1)-Norlup-20(29)-en-28-oic acid, 2-carboxy-3-hydroxy-, (2.alpha.,3.beta.)-
CAS Registry Number 21302-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)
InChIKey WLCHQSHZHFLMJH-UHFFFAOYSA-N
Molecular Weight 486.693 g/mol
SMILES OC(C12C(C3C(C4(C(C5(C(C(C(C5CC4)(C)C)O)C(O)=O)C)CC3)C)(C)CC2)C(CC1)C(C)=C)=O
SPLASH splash10-00gs-0950200000-688690a440af3c58b0f5
Source of Spectrum W5-36460-29076-29076
Synonyms 2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid A(1),23-Dinorlup-20(29)-en-28-oic acid, 2.alpha.-carboxy-3.beta.-hydroxy- A(1)-norlup-20(29)-en-28-oic acid, 2-carboxy-3-hydroxy-, (2alpha,3beta)- A(1)-Norlup-20(29)-en-28-oic acid, 2.alpha.-carboxy-3.beta.-hydroxy- A(1)-Norlup-20(30)-en-28-oic acid, 2.alpha.-carboxy-3.beta.-hydroxy- Ceanothic acid Emmolic acid
Wiley ID 1396552