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Chemical ID: 6694458
Chemical ID:
6694458
Name [?]:
None
SMILES [?]:
CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)CO
InChi [?]:
InChI=1/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:13,14,1,25,11,3,6,26,20,12,2,7,4,9,17,16,18,15,5,19,27,10,23,24,21,8,22/E:(1,2)/rA:27cCCCCCCCOCOCCCCCCCCCCOOOOCCO/rB:s1;d2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;s12;s5;s15;s16;s17;s15s18;s19;s19s20;s4s18;s17;s16;s15;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30O7 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 6.16369 |
Area: | 544.135 |
Solvation: | -7.43969 |
Coulombic: | -85.9076 |
Bond Count [?]
All: | 30 |
Single: | 28 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.448 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.64 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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