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Roxburghiadiol A
[CAS# 103629-94-3]

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CAS#: 103629-94-3
Product: Roxburghiadiol A
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Identification
Name Roxburghiadiol A
Synonyms 9,19-Cycloergost-24(28)-Ene-3,6-Diol, 14-Methyl-, (3Beta,5Alpha,6Alpha)-; Roxburghiadiol A; Roxburghiadiol B
Molecular Structure CAS#: 103629-94-3, Roxburghiadiol A
Molecular Formula C29H48O2
Molecular Weight 428.70
CAS Registry Number 103629-94-3
SMILES [C@]245[C@@]1([C@H](C[C@H](CC1)O)[C@H](C[C@H]2[C@@]3(CC[C@@H]([C@]3(CC4)C)[C@@H](CCC(=C)C(C)C)C)C)O)C5
InChI 1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1
InChIKey FLFAKBJFVNSCHC-HFOFPBCXSA-N
Properties
Density 1.059g/cm3 (Cal.)
Boiling point 531.753°C at 760 mmHg (Cal.)
Flash point 219.156°C (Cal.)
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List of Reports Available for Roxburghiadiol A
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