[(1R,2R,3R,11S,14R,26R)-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] ace

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H44N4O9S
Molecular Weight	768.874
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [(1R,2R,3R,11S,14R,26R)-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] ace

Structure Search

SMILES

[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC6=C5C=C(OC)C=C6)C(=O)OC[C@H](N1C[C@@H]7CC8=CC(C)=C(OC)C(O)=C8[C@H]2N7C)C9=C%10OCOC%10=C(C)C(OC(C)=O)=C39

InChI

InChIKey=HNRFERSMMUAAEX-UPRLGBNKSA-N

InChI=1S/C41H44N4O9S/c1-18-11-21-12-22-14-45-27-15-51-40(48)41(39-24(9-10-42-41)25-13-23(49-5)7-8-26(25)43-39)16-55-38(32(45)31(44(22)4)28(21)33(47)34(18)50-6)30-29(27)37-36(52-17-53-37)19(2)35(30)54-20(3)46/h7-8,11,13,22,27,31-32,38,42-43,47H,9-10,12,14-17H2,1-6H3/t22-,27-,31+,32+,38+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H44N4O9S
Molecular Weight	768.874
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:41 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:41 GMT 2025`
Record UNII	UZR4T5CF3G
Record Status	`Validated (UNII)`
Record Version

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Language

[(1R,2R,3R,11S,14R,26R)-5-hydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[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-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] ace

Preferred Name

English

Code System Code Type Description

PUBCHEM

169667748

Created by admin on Wed Apr 02 19:48:41 GMT 2025 , Edited by admin on Wed Apr 02 19:48:41 GMT 2025

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FDA UNII

UZR4T5CF3G

Created by admin on Wed Apr 02 19:48:41 GMT 2025 , Edited by admin on Wed Apr 02 19:48:41 GMT 2025

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