GERMIDINE TANNATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C76H52O46.C34H53NO10
Molecular Weight	2336.9838
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@@]56O[C@@]7(O)[C@@H](C[C@@H](O)[C@H]5[C@]14O)[C@]6(C)CC[C@@H]7OC(C)=O.OC8=CC(=CC(O)=C8O)C(=O)OC9=CC(=CC(O)=C9O)C(=O)OC[C@H]%10O[C@@H](OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11)[C@H](OC(=O)C%13=CC(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C(O)C(O)=C%13)[C@@H](OC(=O)C%15=CC(OC(=O)C%16=CC(O)=C(O)C(O)=C%16)=C(O)C(O)=C%15)[C@@H]%10OC(=O)C%17=CC(OC(=O)C%18=CC(O)=C(O)C(O)=C%18)=C(O)C(O)=C%17

InChI

InChIKey=BTBCZVOJEKZWBJ-OJYJMISASA-N

InChI=1S/C76H52O46.C34H53NO10/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-7-17(3)29(39)44-28-26(38)25-19(15-35-14-16(2)8-9-23(35)31(25,6)40)20-13-32-27(33(20,28)41)21(37)12-22-30(32,5)11-10-24(43-18(4)36)34(22,42)45-32/h1-20,52,63-65,76-101H,21H2;16-17,19-28,37-38,40-42H,7-15H2,1-6H3/t52-,63-,64+,65-,76+;16-,17+,19-,20-,21+,22-,23-,24-,25+,26+,27+,28-,30-,31+,32+,33-,34?/m10/s1

HIDE SMILES / InChI

Molecular Formula	C34H53NO10
Molecular Weight	635.7853
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C76H52O46
Molecular Weight	1701.1985
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:39:11 GMT 2025` Edited by `admin` on `Mon Mar 31 20:39:11 GMT 2025`
Record UNII	E048T9L8YJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-, TANNATE

Preferred Name

English

GERMIDINE TANNATE

Common Name

English

Code System Code Type Description

FDA UNII

E048T9L8YJ

Created by admin on Mon Mar 31 20:39:11 GMT 2025 , Edited by admin on Mon Mar 31 20:39:11 GMT 2025

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