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(5xi,9xi,18xi)-30-methoxy-11,30-dioxoolean-12-en-3-yl methyl 3,4-di-O-acetyl-2-O-(2,3,4-tri-O-acetyl-6-methylhexopyranuronosyl)hexopyranosiduronate

Catalog ID
STL524448
SMILES COC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)OC)C)C)C)C(C(C1OC(=O)C)OC(=O)C)OC1OC(C(=O)OC)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C55H78O21 MW 1075.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C55H78O21/c1-26(56)68-36-38(70-28(3)58)42(72-30(5)60)48(75-41(36)46(63)66-14)76-43-39(71-29(4)59)37(69-27(2)57)40(45(62)65-13)74-47(43)73-35-17-18-53(10)34(50(35,6)7)16-19-55(12)44(53)33(61)24-31-32-25-52(9,49(64)67-15)21-20-51(32,8)22-23-54(31,5
InChIKey
GBGNHQGRWGJVAE-XBCHRGKOSA-N
Synonyms

(5xi9xi18xi)30methoxy1130dioxoolean12en3ylmethyl34diOacetyl2O(234triOacetyl6methylhexopyranuronosyl)hexopyranosiduronate
16395756
COC(=O)C1OC(OC2CC(C@)3(C(C2(C)C)CC(C@@)2(C3C(=O)C=C3(C@@)2(C)CC(C@@)2(C3C(C@)(C)(CC2)C(=O)OC)C)C)C)C(C(C1OC(=O)C)OC(=O)C)OC1OC(C(=O)OC)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC55H78O21c126(56)683638(7028(3)58)42(7230(5)60)48(7541(36)46(63)6614)764339(7129(4)59)37(6927(2)57)40(45(62)6513)7447(43)7335171853(10)34(50(356)7)161955(12)44(53)33(61)2431322552(949(64)6715)212051(328)222354(3155)11h243234444748H162325H2115
methyl6(((6~(a)~(R)6~(b)~(S)8~(a)~(S)11~(S)14~(b)~(S))11methoxycarbonyl446~(a)6~(b)8~(a)1114~(b)heptamethyl14oxo234~(a)56789101212~(a)14~(a)dodecahydro1~(H)picen3yl)oxy)34diacetyloxy5(345triacetyloxy6methoxycarbonyloxan2yl)oxyoxane2carboxylate
MFCD00808506

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Available files

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