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Epitaondiol
[CAS# 75598-52-6]

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Identification
Name Epitaondiol
Synonyms 16,24-Cyclo-D(17Alpha)-Homo-17A-Oxachola-16,20(22),23-Triene-3,23-Diol, 4,4,8-Trimethyl-, (3Beta,5Alpha,14Beta)-
Molecular Structure CAS#: 75598-52-6, Epitaondiol
Molecular Formula C27H40O3
Molecular Weight 412.61
CAS Registry Number 75598-52-6
SMILES [C@@]35([C@@H]2[C@@](OC1=C(C)C=C(C=C1C2)O)(CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC5)(C)C)O)C)C)C
InChI 1S/C27H40O3/c1-16-13-18(28)14-17-15-21-26(5)10-7-19-24(2,3)22(29)9-11-25(19,4)20(26)8-12-27(21,6)30-23(16)17/h13-14,19-22,28-29H,7-12,15H2,1-6H3/t19-,20+,21+,22-,25-,26+,27-/m0/s1
InChIKey LRMHPGVONLYGQD-GGQWBCBCSA-N
Properties
Density 1.093g/cm3 (Cal.)
Boiling point 532.321°C at 760 mmHg (Cal.)
Flash point 275.738°C (Cal.)
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