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Rubratoxin B Triacetate
[CAS# 27646-47-5]

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CAS#: 27646-47-5
Product: Rubratoxin B Triacetate
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Identification
Name Rubratoxin B Triacetate
Synonyms Rubratoxin B, Triacetate
Molecular Structure CAS#: 27646-47-5, Rubratoxin B Triacetate
Molecular Formula C32H36O14
Molecular Weight 644.63
CAS Registry Number 27646-47-5
SMILES [C@@H]1(OC(=O)C)C(C4=C(CC(CC2=C1C(OC2=O)=O)[C@H](OC(=O)C)C3OC(=O)C=CC3)C(OC4=O)=O)[C@H](OC(=O)C)CCCCCC
InChI 1S/C32H36O14/c1-5-6-7-8-10-21(41-15(2)33)26-24-19(29(37)45-31(24)39)13-18(27(42-16(3)34)22-11-9-12-23(36)44-22)14-20-25(28(26)43-17(4)35)32(40)46-30(20)38/h9,12,18,21-22,26-28H,5-8,10-11,13-14H2,1-4H3/t18?,21-,22?,26?,27+,28+/m1/s1
InChIKey RLPCKDQGNOVADL-XZJZCARSSA-N
Properties
Density 1.374g/cm3 (Cal.)
Boiling point 799.043°C at 760 mmHg (Cal.)
Flash point 328.507°C (Cal.)
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