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6-Hydroxysandoricin
[CAS# 133585-56-5]

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CAS#: 133585-56-5
Product: 6-Hydroxysandoricin
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Identification
Name 6-Hydroxysandoricin
Synonyms Nci60_006596; Nsc622492
Molecular Structure CAS#: 133585-56-5, 6-Hydroxysandoricin
Molecular Formula C31H40O12
Molecular Weight 604.65
CAS Registry Number 133585-56-5
SMILES [C@@H]4(CC3O[C@]12[C@@H](C(OC(C1(C)C(OC(C)=O)CC(C2=C)[C@@]3([C@@H](C(O)C(OC)=O)C4(C)C)C)C5=COC=C5)=O)O)OC(=O)C
InChI 1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3/t18?,19-,20?,21?,22?,23-,24+,25?,29-,30?,31+/m0/s1
InChIKey NKHYHRMLCJNKHW-FENVKJGXSA-N
Properties
Density 1.344g/cm3 (Cal.)
Boiling point 697.29°C at 760 mmHg (Cal.)
Flash point 375.508°C (Cal.)
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