508-24-7
TUMULOSIC ACID
Name
TUMULOSIC ACID
Formula
C31 H50 O4
MolWeight
486.732
1Identification
【Name】
TUMULOSIC ACID
【CAS】
【MDL】
MFCD00238702
【English Synonyms】
【Formula】
C31 H50 O4
【MolWeight】
486.732
【Inchi】
InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
【InChIKey】
InChIKey=XADJANKGURNTIA-YEXRKOARSA-N
【SMILES】
CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TUMULOSIC ACID.cml
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