InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1

【InChIKey】

InChIKey=VDJHFHXMUKFKET-UXMMOKKRSA-N

【SMILES】

C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C

【MOL File】

INGENOL 3-ANGELATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:6

XLogP3:3.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

INGENOL 3-ANGELATE.cml

Quick Release

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75567-37-2 INGENOL 3-ANGELATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】