CALDARCHAEOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C86H172O6
Molecular Weight	1302.2823
Optical Activity	( + )
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@H](C)CCC1

InChI

InChIKey=VMHUDYKDOMRJOK-QUYWEVSVSA-N

InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3/t69-,70-,71-,72-,73+,74+,75+,76+,77-,78-,79-,80-,81+,82+,83+,84+,85+,86+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C86H172O6
Molecular Weight	1302.2823
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:09:03 GMT 2023` Edited by `admin` on `Sat Dec 16 19:09:03 GMT 2023`
Record UNII	R9Z2TK9HCG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CALDARCHAEOL

Common Name

English

(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-HEXADECAMETHYL-1,4,37,40-TETRAOXACYCLODOHEPTACONTANE-2,38-DIMETHANOL

Systematic Name

English

1,4,37,40-TETRAOXACYCLODOHEPTACONTANE-2,38-DIMETHANOL, 7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-HEXADECAMETHYL-, (2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58S,62S,66R,70R)-

Systematic Name

English

Code System Code Type Description

CAS

99529-31-4

Created by admin on Sat Dec 16 19:09:03 GMT 2023 , Edited by admin on Sat Dec 16 19:09:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID70551630

Created by admin on Sat Dec 16 19:09:03 GMT 2023 , Edited by admin on Sat Dec 16 19:09:03 GMT 2023

PRIMARY

FDA UNII

R9Z2TK9HCG

Created by admin on Sat Dec 16 19:09:03 GMT 2023 , Edited by admin on Sat Dec 16 19:09:03 GMT 2023

PRIMARY

PUBCHEM

5771745

Created by admin on Sat Dec 16 19:09:03 GMT 2023 , Edited by admin on Sat Dec 16 19:09:03 GMT 2023

PRIMARY