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Chemical ID: 6633666

Chemical ID:

6633666

Name [?]:

17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

SMILES [?]:

CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC)C

InChi [?]:

InChI=1/C20H32O2/c1-19-10-8-14(21)12-13(19)4-5-15-16-6-7-18(22-3)20(16,2)11-9-17(15)19/h13,15-18H,4-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,21,9,10,17,18,4,13,3,14,7,8,5,11,16,12,19,2,15,6,20/rA:22cCCCCCOCCCCCCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s5;s2s7;s8;s9;s10;s2s11;s12;s13;s14;s11s15;s16;s17;s15s18;s19;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	7

ZAP Information [?]

Total:	8.68214
Area:	467.897
Solvation:	-3.01528
Coulombic:	-16.6276

Bond Count [?]

All:	25
Single:	24
Double:	1
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	304.467
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.02
LogP (Chemaxon):	4.21

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