(Q104962219)

English

[14-[5-Acetyloxy-4-hydroxy-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3',4',16-trihydroxy-5',13-dimethyl-3-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-7-yl]methyl acetate

group of stereoisomers with the chemical formula C₄₇H₆₄O₂₁

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Statements

instance of

group of stereoisomers

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subclass of

18-norcholestane steroid

1 reference

inferred from

18-norcholestane steroid

mass

964.3940090680006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₆₄O₂₁

0 references

canonical SMILES

O=C(OCC1C2C3=C(C(=O)C2OC41OCC(C)C(O)C4O)C5CC=C6CC(O)CC(OC7OCC(OC(=O)C)C(O)C7OC8OC(C)C(OC(=O)C)C(OC(=O)C)C8OC(=O)C)C6(C)C5CC3)C

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Identifiers

InChI

InChI=1S/C47H64O21/c1-18-15-60-47(43(57)35(18)54)30(16-58-20(3)48)34-28-11-12-29-27(33(28)37(56)39(34)68-47)10-9-25-13-26(53)14-32(46(25,29)8)66-44-40(36(55)31(17-59-44)62-21(4)49)67-45-42(65-24(7)52)41(64-23(6)51)38(19(2)61-45)63-22(5)50/h9,18-19,26-27,29-32,34-36,38-45,53-55,57H,10-17H2,1-8H3

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InChIKey

CKEJGZJRWMOMEP-UHFFFAOYSA-N

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PubChem CID

162908746

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CKEJGZJRWMOMEP-UHFFFAOYSA-N

(Q104962219)

[14-[5-Acetyloxy-4-hydroxy-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3',4',16-trihydroxy-5',13-dimethyl-3-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-7-yl]methyl acetate

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