159623-48-0
3,4-SECOTIRUCALLA-4(28),7,24-TRIENE-3,26-DIOIC ACID
Name
3,4-SECOTIRUCALLA-4(28),7,24-TRIENE-3,26-DIOIC ACID
Formula
C30 H46 O4
MolWeight
470.689
1Identification
【Name】
3,4-SECOTIRUCALLA-4(28),7,24-TRIENE-3,26-DIOIC ACID
【CAS】
【MDL】
MFCD20274892
【English Synonyms】
【Formula】
C30 H46 O4
【MolWeight】
470.689
【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】
InChIKey=VGVAABHRCNAZRM-UKFNWJJFSA-N
【SMILES】
C[C@@H](CC/C=C(/C)\C(=O)O)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-SECOTIRUCALLA-4(28),7,24-TRIENE-3,26-DIOIC ACID.cml
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