CX7

Cotylenol

Created:	2011-07-06
Last modified:	2020-06-05

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1 entries where CX7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	6
Bond Count	61
Aromatic Bond Count	0

2D diagram of CX7

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Chemical Component Summary
Name	Cotylenol
Synonyms	(1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5,6-triol
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₁ H₃₄ O₄
Molecular Weight	350.492
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(C)CC3(O)C2=CC1(C(=C(CC1)C(C)C)C(O)C(O)C(C2CC3)C)C
SMILES	CACTVS	3.370	COC[C]1(O)CC[CH]2[CH](C)[CH](O)[CH](O)C3=C(CC[C]3(C)C=C12)C(C)C
SMILES	OpenEye OEToolkits	1.7.2	CC1C2CCC(C2=CC3(CCC(=C3C(C1O)O)C(C)C)C)(COC)O
Canonical SMILES	CACTVS	3.370	COC[C@@]1(O)CC[C@H]\2[C@@H](C)[C@@H](O)[C@H](O)C3=C(CC[C@]3(C)\C=C1\2)C(C)C
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O
InChI	InChI	1.03	InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1
InChIKey	InChI	1.03	AKKFAKCBIIOLLX-LQQINCHMSA-N

Related Resource References

Resource Name	Reference
PubChem	11068110

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