SECORAPAMYCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H79NO13
Molecular Weight	914.1719
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N2CCCC[C@H]2C(O)=O)C(\C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(\C)=C\[C@@H](C)C(=O)\C=C\[C@H](C)C[C@@H]3CC[C@@H](O)[C@@H](C3)OC

InChI

InChIKey=ZAVMPSVOEQNVCP-FWSQOCJKSA-N

InChI=1S/C51H79NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60)/b13-11+,16-12+,23-19+,33-17+,36-28+/t31-,32+,34-,35-,37-,38+,39+,40+,42-,43+,44-,46-,47+,51-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H79NO13
Molecular Weight	914.1719
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:43:47 GMT 2025` Edited by `admin` on `Mon Mar 31 23:43:47 GMT 2025`
Record UNII	ZVF9AF2S67
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SECORAPAMYCIN A

Common Name

English

SIROLIMUS OPEN RING

Preferred Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-(2-OXO-2-((2R,3R,6S)-TETRAHYDRO-2-HYDROXY-6-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-HYDROXY-22-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-2,13-DIMETHOXY-3,9,11,15,17,21-HEXAMETHYL-12,18-DIOXO-3,5,7,15,19-DOCOSAPENT

Systematic Name

English

(2E,4R,6E,8R)-1-(2-OXO-2-((2R,3R,6S)-TETRAHYDRO-2-HYDROXY-6-((2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-HYDROXY-22-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-2,13-DIMETHOXY-3,9,11,15,17,21-HEXAMETHYL-12,18-DIOXO-3,5,7,15,19-DOCOSAPENTAEN-1-YL)-3-MET

Systematic Name

English

Code System Code Type Description

PUBCHEM

71772274

Created by admin on Mon Mar 31 23:43:47 GMT 2025 , Edited by admin on Mon Mar 31 23:43:47 GMT 2025

PRIMARY

CAS

147438-27-5

Created by admin on Mon Mar 31 23:43:47 GMT 2025 , Edited by admin on Mon Mar 31 23:43:47 GMT 2025

PRIMARY

FDA UNII

ZVF9AF2S67

Created by admin on Mon Mar 31 23:43:48 GMT 2025 , Edited by admin on Mon Mar 31 23:43:48 GMT 2025

PRIMARY

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