5,12,22-Trihydroxy-6,6'-dimethoxy-7,21-dimethyl-30-methyl-2',3',4',9'-tetrahydrospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-h

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H42N4O9S
Molecular Weight	742.837
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,12,22-Trihydroxy-6,6'-dimethoxy-7,21-dimethyl-30-methyl-2',3',4',9'-tetrahydrospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.1<sup>3,11</sup>.0<sup>2,13</sup>.0<sup>4,9</sup>.0<sup>15,23</sup>.0<sup>16,20</sup>]triaconta-4(9),5,7,15,20,22-h

Structure Search

SMILES

[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC6=C5C=C(OC)C=C6)C(=O)OC[C@H](N1[C@@H](O)[C@@H]7CC8=CC(C)=C(OC)C(O)=C8[C@H]2N7C)C9=C%10OCOC%10=C(C)C(O)=C39

InChI

InChIKey=VZDZUOAIEQWEBN-DBNALJKDSA-N

InChI=1S/C39H42N4O9S/c1-16-10-18-11-23-37(46)43-24-13-50-38(47)39(36-20(8-9-40-39)21-12-19(48-4)6-7-22(21)41-36)14-53-35(27-26(24)34-33(51-15-52-34)17(2)30(27)44)29(43)28(42(23)3)25(18)31(45)32(16)49-5/h6-7,10,12,23-24,28-29,35,37,40-41,44-46H,8-9,11,13-15H2,1-5H3/t23-,24-,28+,29+,35+,37-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H42N4O9S
Molecular Weight	742.837
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:25:38 GMT 2025` Edited by `admin` on `Wed Apr 02 21:25:38 GMT 2025`
Record UNII	54Z5YQ5RPM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,2R,3R,11S,12S,26R)-5,12,22-Trihydroxy-6,6'-dimethoxy-7,21-dimethyl-30-methyl-2',3',4',9'-tetrahydrospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaco

Preferred Name

English

5,12,22-Trihydroxy-6,6'-dimethoxy-7,21-dimethyl-30-methyl-2',3',4',9'-tetrahydrospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-h

Systematic Name

English

Code System Code Type Description

FDA UNII

54Z5YQ5RPM

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

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CAS

3054883-63-2

Created by admin on Wed Apr 02 21:25:38 GMT 2025 , Edited by admin on Wed Apr 02 21:25:38 GMT 2025

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