3,4-Secotirucalla-4(28,7,24-Triene-3),26-Dioic Acid

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Catalog Number ACM159623480
CAS 159623-48-0
IUPAC Name (Z,6S)-6-[(3S,3aS,5aR,6S,7S,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Molecular Weight 470.7
Molecular Formula C30H46O4
Canonical SMILES CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C
Inchi InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22-,23-,24-,28-,29-,30+/m0/s1
InChIKey VGVAABHRCNAZRM-UKFNWJJFSA-N
Purity 98%
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