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Chemical ID: 6693760

Chemical ID:

6693760

Name [?]:

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

SMILES [?]:

CC1CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C

InChi [?]:

InChI=1/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,22,16,15,17,18,10,11,3,6,2,7,4,14,13,9,19,12,8,5,20/rA:22cCCCCOCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s4;s6;s2s7;s8;s9;s10;s11;s12;s9s13;s14;s7s15;s13;s17;s12s18;s19;s12;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	8

ZAP Information [?]

Total:	8.58912
Area:	451.969
Solvation:	-2.7101
Coulombic:	-25.7514

Bond Count [?]

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

Chemical Properties

Molecular Weight:	304.467
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.01
LogP (Chemaxon):	4.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value