InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

【InChIKey】

InChIKey=JFSHUTJDVKUMTJ-QHPUVITPSA-N

【SMILES】

CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C)C

【MOL File】

BETA-AMYRIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:1

XLogP3:9.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

【Flash point】

217.7°C

4CML File

BETA-AMYRIN.cml

Quick Release

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559-70-6 BETA-AMYRIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】