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Chemical ID: 3968230

CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C

Chemical ID:

3968230

Name [?]:

[17-(2-acetoxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate

SMILES [?]:

CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C

InChi [?]:

InChI=1/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,35,26,28,2,3,4,18,17,23,10,24,9,20,13,31,33,19,21,16,11,14,29,5,15,25,12,8,34,22,27,30,6,32,7/rA:35cCCCCCOOCCCCCCCCCCCCCCOCCCCOCCOCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s8s11;s12;s13;s14;s11s15;s16;s17;s18;d19;s20;d21;s21;d23;s15s19s24;s25;s14;s12;s8;d29;s29;s31;s32;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₈O₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	7

ZAP Information [?]

Total:	11.4553
Area:	699.913
Solvation:	-6.04254
Coulombic:	-70.9674

Bond Count [?]

All:	38
Single:	32
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.597
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.46
LogP (Chemaxon):	3.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value